1-methylquinolin-1-ium-3-carboxylic acid; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-methylquinolin-1-ium-3-carboxylic acid; tris(fluoranyl)methanesulfonate Openeye Name: 1-methylquinolin-1-ium-3-carboxylic acid; trifluoromethanesulfonate CAS Name: 1-methyl-3-quinolin-1-iumcarboxylic acid; trifluoromethanesulfonate IUPAC Name: 1-methylquinolin-1-ium-3-carboxylic acid; trifluoromethanesulfonate Traditional Name: 1-methylquinolin-1-ium-3-carboxylic acid triflate Formula: C12H10F3NO5S MolecularWeight: 337.27171

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC(=CC2=CC=CC=C21)C(=O)O.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC(=CC2=CC=CC=C21)C(=O)O.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C11H9NO2.CHF3O3S/c1-12-7-9(11(13)14)6-8-4-2-3-5-10(8)12;2-1(3,4)8(5,6)7/h2-7H,1H3;(H,5,6,7)