(3S)-N-[1-(3-methylphenyl)piperidin-4-yl]-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxidanylidene-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[1-(3-methylphenyl)piperidin-4-yl]-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxidanylidene-piperidine-3-carboxamide Openeye Name: (3S)-1-(3-morpholin-4-ium-4-ylpropyl)-N-[1-(m-tolyl)-4-piperidyl]-6-oxo-piperidine-3-carboxamide CAS Name: (3S)-N-[1-(3-methylphenyl)-4-piperidinyl]-1-[3-(4-morpholin-4-iumyl)propyl]-6-oxo-3-piperidinecarboxamide IUPAC Name: (3S)-N-[1-(3-methylphenyl)piperidin-4-yl]-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxopiperidine-3-carboxamide Traditional Name: (3S)-6-keto-1-(3-morpholin-4-ium-4-ylpropyl)-N-[1-(m-tolyl)-4-piperidyl]nipecotamide Formula: C25H39N4O3+ MolecularWeight: 443.60216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCC(CC2)NC(=O)C3CCC(=O)N(C3)CCC[NH+]4CCOCC4

Isomeric SMILES

CC1=CC(=CC=C1)N2CCC(CC2)NC(=O)[C@H]3CCC(=O)N(C3)CCC[NH+]4CCOCC4

InChI

InChI=1S/C25H38N4O3/c1-20-4-2-5-23(18-20)28-12-8-22(9-13-28)26-25(31)21-6-7-24(30)29(19-21)11-3-10-27-14-16-32-17-15-27/h2,4-5,18,21-22H,3,6-17,19H2,1H3,(H,26,31)/p+1/t21-/m0/s1