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ethyl 4-[(3S)-1-[(1,2-dimethylindol-3-yl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate
ethyl 4-[(3S)-1-[(1,2-dimethylindol-3-yl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate
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Descriptors Computed from Structure
Canonical SMILES:
CCOC(=O)N1CCN(CC1)C2CCC[NH+](C2)CC3=C(N(C4=CC=CC=C43)C)C
Isomeric SMILES
CCOC(=O)N1CCN(CC1)[C@H]2CCC[NH+](C2)CC3=C(N(C4=CC=CC=C43)C)C
InChI
InChI=1S/C23H34N4O2/c1-4-29-23(28)27-14-12-26(13-15-27)19-8-7-11-25(16-19)17-21-18(2)24(3)22-10-6-5-9-20(21)22/h5-6,9-10,19H,4,7-8,11-17H2,1-3H3/p+1/t19-/m0/s1
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