(3S)-N-methyl-N-(2-methylpropyl)-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidine-3-carboxamide

Systemtic Name: (3S)-N-methyl-N-(2-methylpropyl)-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidine-3-carboxamide Openeye Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-isobutyl-N-methyl-piperidine-3-carboxamide CAS Name: (3S)-N-methyl-N-(2-methylpropyl)-1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-methyl-N-(2-methylpropyl)piperidine-3-carboxamide Traditional Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-isobutyl-N-methyl-nipecotamide Formula: C23H38N3O+ MolecularWeight: 372.56732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H37N3O/c1-19(2)16-24(3)23(27)21-10-7-13-26(18-21)22-11-14-25(15-12-22)17-20-8-5-4-6-9-20/h4-6,8-9,19,21-22H,7,10-18H2,1-3H3/p+1/t21-/m0/s1