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

Systemtic Name: 2-[4-[[1-methyl-4-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[1-methyl-4-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[1-methyl-4-(1-methyl-2-benzimidazolyl)-2-propyl-1-benzimidazol-1-iumyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[1-methyl-4-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-ium-1-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[1-methyl-4-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzonitrile Formula: C33H30N5+ MolecularWeight: 496.6248

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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=C6N5C

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=C6N5C

InChI

InChI=1S/C33H30N5/c1-4-10-31-36-32-27(33-35-28-14-7-8-15-29(28)37(33)2)13-9-16-30(32)38(31,3)22-23-17-19-24(20-18-23)26-12-6-5-11-25(26)21-34/h5-9,11-20H,4,10,22H2,1-3H3/q+1