2-[4-[[2-ethyl-6-(6-fluoranyl-3-methyl-1H-benzimidazol-3-ium-2-yl)-4-methyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[2-ethyl-6-(6-fluoranyl-3-methyl-1H-benzimidazol-3-ium-2-yl)-4-methyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-ethyl-6-(6-fluoro-3-methyl-1H-benzimidazol-3-ium-2-yl)-4-methyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-ethyl-6-(6-fluoro-3-methyl-1H-benzimidazol-3-ium-2-yl)-4-methyl-1-benzimidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-ethyl-6-(6-fluoro-3-methyl-1H-benzimidazol-3-ium-2-yl)-4-methylbenzimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-ethyl-6-(6-fluoro-3-methyl-1H-benzimidazol-3-ium-2-yl)-4-methyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid Formula: C32H28FN4O2+ MolecularWeight: 519.588723

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=C(C=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C5=[N+](C6=C(N5)C=C(C=C6)F)C)C

Isomeric SMILES

CCC1=NC2=C(C=C(C=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C5=[N+](C6=C(N5)C=C(C=C6)F)C)C

InChI

InChI=1S/C32H27FN4O2/c1-4-29-35-30-19(2)15-22(31-34-26-17-23(33)13-14-27(26)36(31)3)16-28(30)37(29)18-20-9-11-21(12-10-20)24-7-5-6-8-25(24)32(38)39/h5-17H,4,18H2,1-3H3,(H,38,39)/p+1