3-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 3-[[4-(2-methylphenyl)-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 3-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C19H22N3+ MolecularWeight: 292.39808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C19H21N3/c1-16-5-2-3-8-19(16)22-11-9-21(10-12-22)15-18-7-4-6-17(13-18)14-20/h2-8,13H,9-12,15H2,1H3/p+1