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

Systemtic Name: (3S)-N-butyl-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidine-3-carboxamide Openeye Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-butyl-piperidine-3-carboxamide CAS Name: (3S)-N-butyl-1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-butylpiperidine-3-carboxamide Traditional Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-butyl-nipecotamide Formula: C22H36N3O+ MolecularWeight: 358.54074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35N3O/c1-2-3-13-23-22(26)20-10-7-14-25(18-20)21-11-15-24(16-12-21)17-19-8-5-4-6-9-19/h4-6,8-9,20-21H,2-3,7,10-18H2,1H3,(H,23,26)/p+1/t20-/m0/s1