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

Systemtic Name: (3S)-N-butyl-1-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]piperidine-3-carboxamide Openeye Name: (3S)-N-butyl-1-[1-(4-pyridylmethyl)piperidin-1-ium-4-yl]piperidine-3-carboxamide CAS Name: (3S)-N-butyl-1-[1-(pyridin-4-ylmethyl)-4-piperidin-1-iumyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N-butyl-1-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]piperidine-3-carboxamide Traditional Name: (3S)-N-butyl-1-[1-(4-pyridylmethyl)piperidin-1-ium-4-yl]nipecotamide Formula: C21H35N4O+ MolecularWeight: 359.5288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N4O/c1-2-3-10-23-21(26)19-5-4-13-25(17-19)20-8-14-24(15-9-20)16-18-6-11-22-12-7-18/h6-7,11-12,19-20H,2-5,8-10,13-17H2,1H3,(H,23,26)/p+1/t19-/m0/s1