2-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 2-[[4-(2,5-dimethylphenyl)-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 2-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 2-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C20H24N3+ MolecularWeight: 306.42466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CC[NH+](CC2)CC3=CC=CC=C3C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CC[NH+](CC2)CC3=CC=CC=C3C#N

InChI

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