2-[2-[[2-(trifluoromethyl)-3H-benzimidazol-1-ium-1-yl]methyl]benzimidazol-1-yl]ethanoic acid

Systemtic Name: 2-[2-[[2-(trifluoromethyl)-3H-benzimidazol-1-ium-1-yl]methyl]benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[2-[[2-(trifluoromethyl)-3H-benzimidazol-1-ium-1-yl]methyl]benzimidazol-1-yl]acetic acid CAS Name: 2-[2-[[2-(trifluoromethyl)-3H-benzimidazol-1-ium-1-yl]methyl]-1-benzimidazolyl]acetic acid IUPAC Name: 2-[2-[[2-(trifluoromethyl)-3H-benzimidazol-1-ium-1-yl]methyl]benzimidazol-1-yl]acetic acid Traditional Name: 2-[2-[[2-(trifluoromethyl)-3H-benzimidazol-1-ium-1-yl]methyl]benzimidazol-1-yl]acetic acid Formula: C18H14F3N4O2+ MolecularWeight: 375.32457

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[N+]2CC3=NC4=CC=CC=C4N3CC(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)NC(=[N+]2CC3=NC4=CC=CC=C4N3CC(=O)O)C(F)(F)F

InChI

InChI=1S/C18H13F3N4O2/c19-18(20,21)17-23-12-6-2-4-8-14(12)25(17)9-15-22-11-5-1-3-7-13(11)24(15)10-16(26)27/h1-8H,9-10H2,(H,26,27)/p+1