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

Systemtic Name: 2-[4-[[4-(1H-benzimidazol-2-yl)-2-butyl-1-methyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[4-(1H-benzimidazol-2-yl)-2-butyl-1-methyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[4-(1H-benzimidazol-2-yl)-2-butyl-1-methyl-1-benzimidazol-1-iumyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[4-(1H-benzimidazol-2-yl)-2-butyl-1-methylbenzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[4-(1H-benzimidazol-2-yl)-2-butyl-1-methyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Formula: C33H31N4O2+ MolecularWeight: 515.62484

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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(=O)O)C5=NC6=CC=CC=C6N5

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=C6N5

InChI

InChI=1S/C33H30N4O2/c1-3-4-16-30-36-31-26(32-34-27-13-7-8-14-28(27)35-32)12-9-15-29(31)37(30,2)21-22-17-19-23(20-18-22)24-10-5-6-11-25(24)33(38)39/h5-15,17-20H,3-4,16,21H2,1-2H3,(H-,34,35,38,39)/p+1