3-[5-chloranyl-3-ethyl-2-methyl-6-(trifluoromethyl)benzimidazol-1-ium-1-yl]propane-1-sulfonate

Systemtic Name: 3-[5-chloranyl-3-ethyl-2-methyl-6-(trifluoromethyl)benzimidazol-1-ium-1-yl]propane-1-sulfonate Openeye Name: 3-[5-chloro-3-ethyl-2-methyl-6-(trifluoromethyl)benzimidazol-1-ium-1-yl]propane-1-sulfonate CAS Name: 3-[5-chloro-3-ethyl-2-methyl-6-(trifluoromethyl)-1-benzimidazol-1-iumyl]-1-propanesulfonate IUPAC Name: 3-[5-chloro-3-ethyl-2-methyl-6-(trifluoromethyl)benzimidazol-1-ium-1-yl]propane-1-sulfonate Traditional Name: 3-[5-chloro-3-ethyl-2-methyl-6-(trifluoromethyl)benzimidazol-1-ium-1-yl]propane-1-sulfonate Formula: C14H16ClF3N2O3S MolecularWeight: 384.80165

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=[N+](C2=C1C=C(C(=C2)C(F)(F)F)Cl)CCCS(=O)(=O)[O-])C

Isomeric SMILES

CCN1C(=[N+](C2=C1C=C(C(=C2)C(F)(F)F)Cl)CCCS(=O)(=O)[O-])C

InChI

InChI=1S/C14H16ClF3N2O3S/c1-3-19-9(2)20(5-4-6-24(21,22)23)12-7-10(14(16,17)18)11(15)8-13(12)19/h7-8H,3-6H2,1-2H3