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

Systemtic Name: 2-[4-[[2-butyl-1-methyl-4-(1-methylbenzimidazol-2-yl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-butyl-1-methyl-4-(1-methylbenzimidazol-2-yl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-1-methyl-4-(1-methyl-2-benzimidazolyl)-1-benzimidazol-1-iumyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-butyl-1-methyl-4-(1-methylbenzimidazol-2-yl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-butyl-1-methyl-4-(1-methylbenzimidazol-2-yl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Formula: C34H33N4O2+ MolecularWeight: 529.65142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C34H32N4O2/c1-4-5-17-31-36-32-27(33-35-28-14-8-9-15-29(28)37(33)2)13-10-16-30(32)38(31,3)22-23-18-20-24(21-19-23)25-11-6-7-12-26(25)34(39)40/h6-16,18-21H,4-5,17,22H2,1-3H3/p+1