(3S)-N-cyclopropyl-1-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-1-ium-4-yl]piperidine-3-carboxamide

Systemtic Name: (3S)-N-cyclopropyl-1-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-1-ium-4-yl]piperidine-3-carboxamide Openeye Name: (3S)-N-cyclopropyl-1-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-1-ium-4-yl]piperidine-3-carboxamide CAS Name: (3S)-N-cyclopropyl-1-[1-[(2,4,5-trimethylphenyl)methyl]-4-piperidin-1-iumyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N-cyclopropyl-1-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-1-ium-4-yl]piperidine-3-carboxamide Traditional Name: (3S)-N-cyclopropyl-1-[1-(2,4,5-trimethylbenzyl)piperidin-1-ium-4-yl]nipecotamide Formula: C24H38N3O+ MolecularWeight: 384.57802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)C[NH+]2CCC(CC2)N3CCCC(C3)C(=O)NC4CC4)C

Isomeric SMILES

CC1=CC(=C(C=C1C)C[NH+]2CCC(CC2)N3CCC[C@@H](C3)C(=O)NC4CC4)C

InChI

InChI=1S/C24H37N3O/c1-17-13-19(3)21(14-18(17)2)15-26-11-8-23(9-12-26)27-10-4-5-20(16-27)24(28)25-22-6-7-22/h13-14,20,22-23H,4-12,15-16H2,1-3H3,(H,25,28)/p+1/t20-/m0/s1