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

Systemtic Name: (3S)-1-ethanoyl-N-[3-[4-(3-methylphenyl)piperazin-1-ium-1-yl]propyl]piperidine-3-carboxamide Openeye Name: (3S)-1-acetyl-N-[3-[4-(m-tolyl)piperazin-1-ium-1-yl]propyl]piperidine-3-carboxamide CAS Name: (3S)-1-acetyl-N-[3-[4-(3-methylphenyl)-1-piperazin-1-iumyl]propyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-acetyl-N-[3-[4-(3-methylphenyl)piperazin-1-ium-1-yl]propyl]piperidine-3-carboxamide Traditional Name: (3S)-1-acetyl-N-[3-[4-(m-tolyl)piperazin-1-ium-1-yl]propyl]nipecotamide Formula: C22H35N4O2+ MolecularWeight: 387.5389

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N4O2/c1-18-6-3-8-21(16-18)25-14-12-24(13-15-25)10-5-9-23-22(28)20-7-4-11-26(17-20)19(2)27/h3,6,8,16,20H,4-5,7,9-15,17H2,1-2H3,(H,23,28)/p+1/t20-/m0/s1