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

Systemtic Name: 2-[4-[[2-butyl-1-(1-methylbenzimidazol-2-yl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-butyl-1-(1-methylbenzimidazol-2-yl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-1-(1-methyl-2-benzimidazolyl)-1-benzimidazol-1-iumyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-butyl-1-(1-methylbenzimidazol-2-yl)benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-butyl-1-(1-methylbenzimidazol-2-yl)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=CC=CC=C2[N+]1(CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C5=NC6=CC=CC=C6N5C

Isomeric SMILES

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

InChI

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