2-[4-[[2-butyl-1-methyl-4-(1-methylbenzimidazol-2-yl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[[2-butyl-1-methyl-4-(1-methylbenzimidazol-2-yl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[2-butyl-1-methyl-4-(1-methylbenzimidazol-2-yl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[2-butyl-1-methyl-4-(1-methyl-2-benzimidazolyl)-1-benzimidazol-1-iumyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[2-butyl-1-methyl-4-(1-methylbenzimidazol-2-yl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[2-butyl-1-methyl-4-(1-methylbenzimidazol-2-yl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzonitrile Formula: C34H32N5+ MolecularWeight: 510.65138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C5=NC6=CC=CC=C6N5C

Isomeric SMILES

CCCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C5=NC6=CC=CC=C6N5C

InChI

InChI=1S/C34H32N5/c1-4-5-17-32-37-33-28(34-36-29-14-8-9-15-30(29)38(34)2)13-10-16-31(33)39(32,3)23-24-18-20-25(21-19-24)27-12-7-6-11-26(27)22-35/h6-16,18-21H,4-5,17,23H2,1-3H3/q+1