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(3S)-N-cyclopropyl-1-[1-[(3-methylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide
(3S)-N-cyclopropyl-1-[1-[(3-methylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide
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Descriptors Computed from Structure
Canonical SMILES:
CC1=CC(=CC=C1)C[NH+]2CCC(CC2)[NH+]3CCCC(C3)C(=O)NC4CC4
Isomeric SMILES
CC1=CC(=CC=C1)C[NH+]2CCC(CC2)[NH+]3CCC[C@@H](C3)C(=O)NC4CC4
InChI
InChI=1S/C22H33N3O/c1-17-4-2-5-18(14-17)15-24-12-9-21(10-13-24)25-11-3-6-19(16-25)22(26)23-20-7-8-20/h2,4-5,14,19-21H,3,6-13,15-16H2,1H3,(H,23,26)/p+2/t19-/m0/s1
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