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

Systemtic Name: ethyl 5-(dimethylcarbamoyloxy)-1-methyl-quinolin-1-ium-3-carboxylate; tris(fluoranyl)methanesulfonate Openeye Name: ethyl 5-(dimethylcarbamoyloxy)-1-methyl-quinolin-1-ium-3-carboxylate; trifluoromethanesulfonate CAS Name: 5-[dimethylamino(oxo)methoxy]-1-methyl-3-quinolin-1-iumcarboxylic acid ethyl ester; trifluoromethanesulfonate IUPAC Name: ethyl 5-(dimethylcarbamoyloxy)-1-methylquinolin-1-ium-3-carboxylate; trifluoromethanesulfonate Traditional Name: 5-(dimethylcarbamoyloxy)-1-methyl-quinolin-1-ium-3-carboxylic acid ethyl ester triflate Formula: C17H19F3N2O7S MolecularWeight: 452.40217

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N2O4.CHF3O3S/c1-5-21-15(19)11-9-12-13(18(4)10-11)7-6-8-14(12)22-16(20)17(2)3;2-1(3,4)8(5,6)7/h6-10H,5H2,1-4H3;(H,5,6,7)/q+1;/p-1