(3S)-1-ethanoyl-N-[4-[4-(3-methylphenyl)piperazin-1-ium-1-yl]butyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-ethanoyl-N-[4-[4-(3-methylphenyl)piperazin-1-ium-1-yl]butyl]piperidine-3-carboxamide Openeye Name: (3S)-1-acetyl-N-[4-[4-(m-tolyl)piperazin-1-ium-1-yl]butyl]piperidine-3-carboxamide CAS Name: (3S)-1-acetyl-N-[4-[4-(3-methylphenyl)-1-piperazin-1-iumyl]butyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-acetyl-N-[4-[4-(3-methylphenyl)piperazin-1-ium-1-yl]butyl]piperidine-3-carboxamide Traditional Name: (3S)-1-acetyl-N-[4-[4-(m-tolyl)piperazin-1-ium-1-yl]butyl]nipecotamide Formula: C23H37N4O2+ MolecularWeight: 401.56548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCCCNC(=O)C3CCCN(C3)C(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCCCNC(=O)[C@H]3CCCN(C3)C(=O)C

InChI

InChI=1S/C23H36N4O2/c1-19-7-5-9-22(17-19)26-15-13-25(14-16-26)11-4-3-10-24-23(29)21-8-6-12-27(18-21)20(2)28/h5,7,9,17,21H,3-4,6,8,10-16,18H2,1-2H3,(H,24,29)/p+1/t21-/m0/s1