(3S)-N-butyl-N-methyl-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidine-3-carboxamide

Systemtic Name: (3S)-N-butyl-N-methyl-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidine-3-carboxamide Openeye Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-butyl-N-methyl-piperidine-3-carboxamide CAS Name: (3S)-N-butyl-N-methyl-1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-butyl-N-methylpiperidine-3-carboxamide Traditional Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-butyl-N-methyl-nipecotamide Formula: C23H38N3O+ MolecularWeight: 372.56732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=O)C1CCCN(C1)C2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCCN(C)C(=O)[C@H]1CCCN(C1)C2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H37N3O/c1-3-4-14-24(2)23(27)21-11-8-15-26(19-21)22-12-16-25(17-13-22)18-20-9-6-5-7-10-20/h5-7,9-10,21-22H,3-4,8,11-19H2,1-2H3/p+1/t21-/m0/s1