2-[4-[[1-(1,6-dimethylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[1-(1,6-dimethylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[1-(1,6-dimethylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[1-(1,6-dimethyl-2-benzimidazolyl)-2-propyl-1-benzimidazol-1-iumyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[1-(1,6-dimethylbenzimidazol-2-yl)-2-propylbenzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[1-(1,6-dimethylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]benzoic acid Formula: C33H31N4O2+ MolecularWeight: 515.62484

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2[N+]1(CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C5=NC6=C(N5C)C=C(C=C6)C

Isomeric SMILES

CCCC1=NC2=CC=CC=C2[N+]1(CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C5=NC6=C(N5C)C=C(C=C6)C

InChI

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