ethyl 4-[(6,7-dimethoxy-1-methyl-quinolin-1-ium-3-yl)carbonylamino]butanoate; tris(fluoranyl)methanesulfonate

Systemtic Name: ethyl 4-[(6,7-dimethoxy-1-methyl-quinolin-1-ium-3-yl)carbonylamino]butanoate; tris(fluoranyl)methanesulfonate Openeye Name: ethyl 4-[(6,7-dimethoxy-1-methyl-quinolin-1-ium-3-carbonyl)amino]butanoate; trifluoromethanesulfonate CAS Name: 4-[[(6,7-dimethoxy-1-methyl-3-quinolin-1-iumyl)-oxomethyl]amino]butanoic acid ethyl ester; trifluoromethanesulfonate IUPAC Name: ethyl 4-[(6,7-dimethoxy-1-methylquinolin-1-ium-3-carbonyl)amino]butanoate; trifluoromethanesulfonate Traditional Name: 4-[(6,7-dimethoxy-1-methyl-quinolin-1-ium-3-carbonyl)amino]butyric acid ethyl ester triflate Formula: C20H25F3N2O8S MolecularWeight: 510.48131

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=O)C1=C[N+](=C2C=C(C(=CC2=C1)OC)OC)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCOC(=O)CCCNC(=O)C1=C[N+](=C2C=C(C(=CC2=C1)OC)OC)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C19H24N2O5.CHF3O3S/c1-5-26-18(22)7-6-8-20-19(23)14-9-13-10-16(24-3)17(25-4)11-15(13)21(2)12-14;2-1(3,4)8(5,6)7/h9-12H,5-8H2,1-4H3;(H,5,6,7)