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

Systemtic Name: 2-[4-[[4-(1H-benzimidazol-2-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[4-(1H-benzimidazol-2-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[4-(1H-benzimidazol-2-yl)-1-methyl-2-propyl-1-benzimidazol-1-iumyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[4-(1H-benzimidazol-2-yl)-1-methyl-2-propylbenzimidazol-1-ium-1-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[4-(1H-benzimidazol-2-yl)-1-methyl-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzonitrile Formula: C32H28N5+ MolecularWeight: 482.59822

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C5=NC6=CC=CC=C6N5

Isomeric SMILES

CCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C5=NC6=CC=CC=C6N5

InChI

InChI=1S/C32H28N5/c1-3-9-30-36-31-26(32-34-27-13-6-7-14-28(27)35-32)12-8-15-29(31)37(30,2)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,(H,34,35)/q+1