ethyl 7-methoxy-1,2-dimethyl-6-phenylmethoxy-quinolin-1-ium-3-carboxylate; tris(fluoranyl)methanesulfonate

Systemtic Name: ethyl 7-methoxy-1,2-dimethyl-6-phenylmethoxy-quinolin-1-ium-3-carboxylate; tris(fluoranyl)methanesulfonate Openeye Name: ethyl 6-benzyloxy-7-methoxy-1,2-dimethyl-quinolin-1-ium-3-carboxylate; trifluoromethanesulfonate CAS Name: 7-methoxy-1,2-dimethyl-6-phenylmethoxy-3-quinolin-1-iumcarboxylic acid ethyl ester; trifluoromethanesulfonate IUPAC Name: ethyl 7-methoxy-1,2-dimethyl-6-phenylmethoxyquinolin-1-ium-3-carboxylate; trifluoromethanesulfonate Traditional Name: 6-benzoxy-7-methoxy-1,2-dimethyl-quinolin-1-ium-3-carboxylic acid ethyl ester triflate Formula: C23H24F3NO7S MolecularWeight: 515.49937

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([N+](=C2C=C(C(=CC2=C1)OCC3=CC=CC=C3)OC)C)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C([N+](=C2C=C(C(=CC2=C1)OCC3=CC=CC=C3)OC)C)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C22H24NO4.CHF3O3S/c1-5-26-22(24)18-11-17-12-21(27-14-16-9-7-6-8-10-16)20(25-4)13-19(17)23(3)15(18)2;2-1(3,4)8(5,6)7/h6-13H,5,14H2,1-4H3;(H,5,6,7)/q+1;/p-1