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

Systemtic Name: (3S)-N-methyl-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-N-propan-2-yl-piperidine-3-carboxamide Openeye Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-isopropyl-N-methyl-piperidine-3-carboxamide CAS Name: (3S)-N-methyl-1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-N-propan-2-yl-3-piperidinecarboxamide IUPAC Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-methyl-N-propan-2-ylpiperidine-3-carboxamide Traditional Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-isopropyl-N-methyl-nipecotamide Formula: C22H36N3O+ MolecularWeight: 358.54074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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