methyl 5-(dimethylcarbamoyloxy)-1-methyl-quinolin-1-ium-3-carboxylate; tris(fluoranyl)methanesulfonate

Systemtic Name: methyl 5-(dimethylcarbamoyloxy)-1-methyl-quinolin-1-ium-3-carboxylate; tris(fluoranyl)methanesulfonate Openeye Name: methyl 5-(dimethylcarbamoyloxy)-1-methyl-quinolin-1-ium-3-carboxylate; trifluoromethanesulfonate CAS Name: 5-[dimethylamino(oxo)methoxy]-1-methyl-3-quinolin-1-iumcarboxylic acid methyl ester; trifluoromethanesulfonate IUPAC Name: methyl 5-(dimethylcarbamoyloxy)-1-methylquinolin-1-ium-3-carboxylate; trifluoromethanesulfonate Traditional Name: 5-(dimethylcarbamoyloxy)-1-methyl-quinolin-1-ium-3-carboxylic acid methyl ester triflate Formula: C16H17F3N2O7S MolecularWeight: 438.37559

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C=CC=C(C2=CC(=C1)C(=O)OC)OC(=O)N(C)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C2C=CC=C(C2=CC(=C1)C(=O)OC)OC(=O)N(C)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C15H17N2O4.CHF3O3S/c1-16(2)15(19)21-13-7-5-6-12-11(13)8-10(9-17(12)3)14(18)20-4;2-1(3,4)8(5,6)7/h5-9H,1-4H3;(H,5,6,7)/q+1;/p-1