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

Systemtic Name: (3S)-N-(2-methylprop-2-enyl)-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidine-3-carboxamide Openeye Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-(2-methylallyl)piperidine-3-carboxamide CAS Name: (3S)-N-(2-methylprop-2-enyl)-1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-(2-methylprop-2-enyl)piperidine-3-carboxamide Traditional Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-(2-methylallyl)nipecotamide Formula: C22H34N3O+ MolecularWeight: 356.52486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N3O/c1-18(2)15-23-22(26)20-9-6-12-25(17-20)21-10-13-24(14-11-21)16-19-7-4-3-5-8-19/h3-5,7-8,20-21H,1,6,9-17H2,2H3,(H,23,26)/p+1/t20-/m0/s1