4-[[2,3-dimethyl-6-(trifluoromethyl)benzimidazol-3-ium-1-yl]methyl]benzenesulfonic acid

Systemtic Name: 4-[[2,3-dimethyl-6-(trifluoromethyl)benzimidazol-3-ium-1-yl]methyl]benzenesulfonic acid Openeye Name: 4-[[2,3-dimethyl-6-(trifluoromethyl)benzimidazol-3-ium-1-yl]methyl]benzenesulfonic acid CAS Name: 4-[[2,3-dimethyl-6-(trifluoromethyl)-1-benzimidazol-3-iumyl]methyl]benzenesulfonic acid IUPAC Name: 4-[[2,3-dimethyl-6-(trifluoromethyl)benzimidazol-3-ium-1-yl]methyl]benzenesulfonic acid Traditional Name: 4-[[2,3-dimethyl-6-(trifluoromethyl)benzimidazol-3-ium-1-yl]methyl]besylic acid Formula: C17H16F3N2O3S+ MolecularWeight: 385.38075

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(N1CC3=CC=C(C=C3)S(=O)(=O)O)C=C(C=C2)C(F)(F)F)C

Isomeric SMILES

CC1=[N+](C2=C(N1CC3=CC=C(C=C3)S(=O)(=O)O)C=C(C=C2)C(F)(F)F)C

InChI

InChI=1S/C17H15F3N2O3S/c1-11-21(2)15-8-5-13(17(18,19)20)9-16(15)22(11)10-12-3-6-14(7-4-12)26(23,24)25/h3-9H,10H2,1-2H3/p+1