4-[5-chloranyl-3-ethyl-2-methyl-6-(trifluoromethyl)benzimidazol-1-ium-1-yl]butane-1-sulfonate

Systemtic Name: 4-[5-chloranyl-3-ethyl-2-methyl-6-(trifluoromethyl)benzimidazol-1-ium-1-yl]butane-1-sulfonate Openeye Name: 4-[5-chloro-3-ethyl-2-methyl-6-(trifluoromethyl)benzimidazol-1-ium-1-yl]butane-1-sulfonate CAS Name: 4-[5-chloro-3-ethyl-2-methyl-6-(trifluoromethyl)-1-benzimidazol-1-iumyl]-1-butanesulfonate IUPAC Name: 4-[5-chloro-3-ethyl-2-methyl-6-(trifluoromethyl)benzimidazol-1-ium-1-yl]butane-1-sulfonate Traditional Name: 4-[5-chloro-3-ethyl-2-methyl-6-(trifluoromethyl)benzimidazol-1-ium-1-yl]butane-1-sulfonate Formula: C15H18ClF3N2O3S MolecularWeight: 398.82823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18ClF3N2O3S/c1-3-20-10(2)21(6-4-5-7-25(22,23)24)13-8-11(15(17,18)19)12(16)9-14(13)20/h8-9H,3-7H2,1-2H3