4-[[5,6-dimethyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[5,6-dimethyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[(3-benzyl-5,6-dimethyl-benzimidazol-3-ium-1-yl)methyl]benzonitrile CAS Name: 4-[[5,6-dimethyl-3-(phenylmethyl)-1-benzimidazol-3-iumyl]methyl]benzonitrile IUPAC Name: 4-[(3-benzyl-5,6-dimethylbenzimidazol-3-ium-1-yl)methyl]benzonitrile Traditional Name: 4-[(3-benzyl-5,6-dimethyl-benzimidazol-3-ium-1-yl)methyl]benzonitrile Formula: C24H22N3+ MolecularWeight: 352.45158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)[N+](=CN2CC3=CC=C(C=C3)C#N)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1C)[N+](=CN2CC3=CC=C(C=C3)C#N)CC4=CC=CC=C4

InChI

InChI=1S/C24H22N3/c1-18-12-23-24(13-19(18)2)27(16-22-10-8-20(14-25)9-11-22)17-26(23)15-21-6-4-3-5-7-21/h3-13,17H,15-16H2,1-2H3/q+1