4-[2,3-dimethyl-6-(trifluoromethyl)benzimidazol-3-ium-1-yl]butane-1-sulfonate

Systemtic Name: 4-[2,3-dimethyl-6-(trifluoromethyl)benzimidazol-3-ium-1-yl]butane-1-sulfonate Openeye Name: 4-[2,3-dimethyl-6-(trifluoromethyl)benzimidazol-3-ium-1-yl]butane-1-sulfonate CAS Name: 4-[2,3-dimethyl-6-(trifluoromethyl)-1-benzimidazol-3-iumyl]-1-butanesulfonate IUPAC Name: 4-[2,3-dimethyl-6-(trifluoromethyl)benzimidazol-3-ium-1-yl]butane-1-sulfonate Traditional Name: 4-[2,3-dimethyl-6-(trifluoromethyl)benzimidazol-3-ium-1-yl]butane-1-sulfonate Formula: C14H17F3N2O3S MolecularWeight: 350.35659

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(N1CCCCS(=O)(=O)[O-])C=C(C=C2)C(F)(F)F)C

Isomeric SMILES

CC1=[N+](C2=C(N1CCCCS(=O)(=O)[O-])C=C(C=C2)C(F)(F)F)C

InChI

InChI=1S/C14H17F3N2O3S/c1-10-18(2)12-6-5-11(14(15,16)17)9-13(12)19(10)7-3-4-8-23(20,21)22/h5-6,9H,3-4,7-8H2,1-2H3