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Mrv1906 06042017153D 65.42000
49 49 0 0 1 0 999 V2000
4.1617 -6.6571 -4.2692 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3732 -6.3648 -2.9716 C 0 0 2 0 0 0 0 0 0 0 0 0
2.2915 -5.2684 -3.1684 C 0 0 2 0 0 0 0 0 0 0 0 0
1.6144 -4.8365 -1.8398 C 0 0 2 0 0 0 0 0 0 0 0 0
0.5462 -3.7266 -2.0410 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.1543 -3.3758 -0.7697 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0713 -4.1813 -0.4645 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1202 -2.2528 0.1222 N 0 3 2 0 0 0 0 0 0 0 0 0
0.3380 -2.7978 1.5409 C 0 0 1 0 0 0 0 0 0 0 0 0
1.3703 -3.8157 1.7531 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2854 -4.7720 2.6926 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3168 -5.7663 2.8920 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0847 -1.2926 0.1515 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.3210 -0.4395 -1.0626 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1119 0.9626 -1.0056 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3022 1.7732 -2.1391 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7066 1.1958 -3.3531 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9382 -0.1889 -3.4295 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7519 -0.9955 -2.2911 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3387 -1.9286 0.4298 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3554 -1.4508 -0.2576 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4847 -6.9830 -5.0617 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6907 -5.7600 -4.6002 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8962 -7.4454 -4.0907 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0831 -6.0473 -2.2028 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8964 -7.2888 -2.6319 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5293 -5.6461 -3.8560 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7551 -4.3889 -3.6217 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3872 -4.4651 -1.1634 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1479 -5.7116 -1.3765 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1979 -4.0762 -2.7637 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0149 -2.8541 -2.4933 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5939 -1.9790 2.2218 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6069 -3.2018 1.9191 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1878 -3.7852 1.1953 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4812 -4.8129 3.2750 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2887 -5.2853 3.0242 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3566 -6.4315 2.0274 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1040 -6.3627 3.7820 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9513 -0.6146 1.0035 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8146 1.4079 -0.1351 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1445 2.7824 -2.0793 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8357 1.7843 -4.1783 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2428 -0.6076 -4.3112 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9401 -1.9949 -2.3692 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2461 -2.3218 1.3214 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5469 -0.6522 0.4639 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2588 -0.9729 -1.2334 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2520 -2.0681 -0.3060 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 2 0 0 0 0
8 6 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
8 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
14 19 1 0 0 0 0
13 20 1 0 0 0 0
8 21 1 0 0 0 0
1 22 1 0 0 0 0
1 23 1 0 0 0 0
1 24 1 0 0 0 0
2 25 1 0 0 0 0
2 26 1 0 0 0 0
3 27 1 0 0 0 0
3 28 1 0 0 0 0
4 29 1 0 0 0 0
4 30 1 0 0 0 0
5 31 1 0 0 0 0
5 32 1 0 0 0 0
9 33 1 0 0 0 0
9 34 1 0 0 0 0
10 35 1 0 0 0 0
11 36 1 0 0 0 0
12 37 1 0 0 0 0
12 38 1 0 0 0 0
12 39 1 0 0 0 0
13 40 1 0 0 0 0
15 41 1 0 0 0 0
16 42 1 0 0 0 0
17 43 1 0 0 0 0
18 44 1 0 0 0 0
19 45 1 0 0 0 0
20 46 1 0 0 0 0
21 47 1 0 0 0 0
21 48 1 0 0 0 0
21 49 1 0 0 0 0
M CHG 1 8 1
M END
> <IUPAC_NAME>
N‐[(2E)‐but‐2‐en‐1‐yl]‐N‐[(R)‐hydroxy(phenyl)methyl]‐N‐methylhexanamidium
> <LOGP>
0.31
$$$$
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