1-ethyl-4-methyl-6-(trifluoromethylsulfinyl)quinolin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 1-ethyl-4-methyl-6-(trifluoromethylsulfinyl)quinolin-1-ium; 4-methylbenzenesulfonate Openeye Name: 1-ethyl-4-methyl-6-(trifluoromethylsulfinyl)quinolin-1-ium; 4-methylbenzenesulfonate CAS Name: 1-ethyl-4-methyl-6-(trifluoromethylsulfinyl)quinolin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 1-ethyl-4-methyl-6-(trifluoromethylsulfinyl)quinolin-1-ium; 4-methylbenzenesulfonate Traditional Name: 1-ethyl-4-methyl-6-(trifluoromethylsulfinyl)quinolin-1-ium tosylate Formula: C20H20F3NO4S2 MolecularWeight: 459.50231

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C2C=CC(=CC2=C(C=C1)C)S(=O)C(F)(F)F.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=C2C=CC(=CC2=C(C=C1)C)S(=O)C(F)(F)F.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C13H13F3NOS.C7H8O3S/c1-3-17-7-6-9(2)11-8-10(4-5-12(11)17)19(18)13(14,15)16;1-6-2-4-7(5-3-6)11(8,9)10/h4-8H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1