1,4-dimethyl-6-(trifluoromethylsulfanyl)quinolin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 1,4-dimethyl-6-(trifluoromethylsulfanyl)quinolin-1-ium; 4-methylbenzenesulfonate Openeye Name: 1,4-dimethyl-6-(trifluoromethylsulfanyl)quinolin-1-ium; 4-methylbenzenesulfonate CAS Name: 1,4-dimethyl-6-(trifluoromethylthio)quinolin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 1,4-dimethyl-6-(trifluoromethylsulfanyl)quinolin-1-ium; 4-methylbenzenesulfonate Traditional Name: 1,4-dimethyl-6-(trifluoromethylthio)quinolin-1-ium tosylate Formula: C19H18F3NO3S2 MolecularWeight: 429.47633

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=C2C=C(C=CC2=[N+](C=C1)C)SC(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=C2C=C(C=CC2=[N+](C=C1)C)SC(F)(F)F

InChI

InChI=1S/C12H11F3NS.C7H8O3S/c1-8-5-6-16(2)11-4-3-9(7-10(8)11)17-12(13,14)15;1-6-2-4-7(5-3-6)11(8,9)10/h3-7H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1