4-cyano-N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]benzamide

Systemtic Name: 4-cyano-N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]benzamide Openeye Name: 4-cyano-N-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethyl]benzamide CAS Name: 4-cyano-N-[2-[4-(3-methylphenyl)-1-piperazin-1-iumyl]ethyl]benzamide IUPAC Name: 4-cyano-N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]benzamide Traditional Name: 4-cyano-N-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethyl]benzamide Formula: C21H25N4O+ MolecularWeight: 349.4494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O/c1-17-3-2-4-20(15-17)25-13-11-24(12-14-25)10-9-23-21(26)19-7-5-18(16-22)6-8-19/h2-8,15H,9-14H2,1H3,(H,23,26)/p+1