4-[[4-(2-methylphenyl)carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(2-methylphenyl)carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-methylbenzoyl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(2-methylphenyl)-oxomethyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2-methylbenzoyl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[(4-o-toluoylpiperazin-1-ium-1-yl)methyl]benzonitrile Formula: C20H22N3O+ MolecularWeight: 320.40818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H21N3O/c1-16-4-2-3-5-19(16)20(24)23-12-10-22(11-13-23)15-18-8-6-17(14-21)7-9-18/h2-9H,10-13,15H2,1H3/p+1