1,2-dimethyl-4-(trifluoromethyl)quinolin-1-ium; methyl sulfate

Systemtic Name: 1,2-dimethyl-4-(trifluoromethyl)quinolin-1-ium; methyl sulfate Openeye Name: 1,2-dimethyl-4-(trifluoromethyl)quinolin-1-ium; methyl sulfate CAS Name: 1,2-dimethyl-4-(trifluoromethyl)quinolin-1-ium; methyl sulfate IUPAC Name: 1,2-dimethyl-4-(trifluoromethyl)quinolin-1-ium; methyl sulfate Traditional Name: 1,2-dimethyl-4-(trifluoromethyl)quinolin-1-ium; methyl sulfate Formula: C13H14F3NO4S MolecularWeight: 337.31477

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2C(=C1)C(F)(F)F)C.COS(=O)(=O)[O-]

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2C(=C1)C(F)(F)F)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C12H11F3N.CH4O4S/c1-8-7-10(12(13,14)15)9-5-3-4-6-11(9)16(8)2;1-5-6(2,3)4/h3-7H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1