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

Systemtic Name: 3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 3-[[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C20H24N3+ MolecularWeight: 306.42466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC=CC(=C3)C#N)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC=CC(=C3)C#N)C

InChI

InChI=1S/C20H23N3/c1-16-5-3-8-20(17(16)2)23-11-9-22(10-12-23)15-19-7-4-6-18(13-19)14-21/h3-8,13H,9-12,15H2,1-2H3/p+1