4-cyano-N-[3-[4-(3-methylphenyl)piperazin-1-ium-1-yl]propyl]benzamide

Systemtic Name: 4-cyano-N-[3-[4-(3-methylphenyl)piperazin-1-ium-1-yl]propyl]benzamide Openeye Name: 4-cyano-N-[3-[4-(m-tolyl)piperazin-1-ium-1-yl]propyl]benzamide CAS Name: 4-cyano-N-[3-[4-(3-methylphenyl)-1-piperazin-1-iumyl]propyl]benzamide IUPAC Name: 4-cyano-N-[3-[4-(3-methylphenyl)piperazin-1-ium-1-yl]propyl]benzamide Traditional Name: 4-cyano-N-[3-[4-(m-tolyl)piperazin-1-ium-1-yl]propyl]benzamide Formula: C22H27N4O+ MolecularWeight: 363.47598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O/c1-18-4-2-5-21(16-18)26-14-12-25(13-15-26)11-3-10-24-22(27)20-8-6-19(17-23)7-9-20/h2,4-9,16H,3,10-15H2,1H3,(H,24,27)/p+1