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

Systemtic Name: 4-[[5,6-dimethyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]methyl]benzenecarbonitrile bromide Openeye Name: 4-[(3-benzyl-5,6-dimethyl-benzimidazol-3-ium-1-yl)methyl]benzonitrile bromide CAS Name: 4-[[5,6-dimethyl-3-(phenylmethyl)-1-benzimidazol-3-iumyl]methyl]benzonitrile bromide IUPAC Name: 4-[(3-benzyl-5,6-dimethylbenzimidazol-3-ium-1-yl)methyl]benzonitrile bromide Traditional Name: 4-[(3-benzyl-5,6-dimethyl-benzimidazol-3-ium-1-yl)methyl]benzonitrile bromide Formula: C24H22BrN3 MolecularWeight: 432.35558

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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.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C24H22N3.BrH/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;1H/q+1;/p-1