2-[4-[[4-(1-methylbenzimidazol-2-yl)-2-propyl-1H-benzimidazol-1-ium-1-yl]methyl]phenyl]benzenecarbonitrile chloride

Systemtic Name: 2-[4-[[4-(1-methylbenzimidazol-2-yl)-2-propyl-1H-benzimidazol-1-ium-1-yl]methyl]phenyl]benzenecarbonitrile chloride Openeye Name: 2-[4-[[4-(1-methylbenzimidazol-2-yl)-2-propyl-1H-benzimidazol-1-ium-1-yl]methyl]phenyl]benzonitrile chloride CAS Name: 2-[4-[[4-(1-methyl-2-benzimidazolyl)-2-propyl-1H-benzimidazol-1-ium-1-yl]methyl]phenyl]benzonitrile chloride IUPAC Name: 2-[4-[[4-(1-methylbenzimidazol-2-yl)-2-propyl-1H-benzimidazol-1-ium-1-yl]methyl]phenyl]benzonitrile chloride Traditional Name: 2-[4-[[4-(1-methylbenzimidazol-2-yl)-2-propyl-1H-benzimidazol-1-ium-1-yl]methyl]phenyl]benzonitrile chloride Formula: C32H28ClN5 MolecularWeight: 518.05122

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC=C2[NH+]1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C5=NC6=CC=CC=C6N5C.[Cl-]

Isomeric SMILES

CCCC1=NC2=C(C=CC=C2[NH+]1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C5=NC6=CC=CC=C6N5C.[Cl-]

InChI

InChI=1S/C32H27N5.ClH/c1-3-9-30-35-31-26(32-34-27-13-6-7-14-28(27)36(32)2)12-8-15-29(31)37(30)21-22-16-18-23(19-17-22)25-11-5-4-10-24(25)20-33;/h4-8,10-19H,3,9,21H2,1-2H3;1H