ethyl 4-(4-methoxycarbonylpiperidin-1-yl)-7-(trifluoromethyl)quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 4-(4-methoxycarbonylpiperidin-1-yl)-7-(trifluoromethyl)quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-(4-methoxycarbonyl-1-piperidyl)-7-(trifluoromethyl)quinolin-1-ium-3-carboxylate CAS Name: 4-(4-methoxycarbonyl-1-piperidinyl)-7-(trifluoromethyl)-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methoxycarbonylpiperidin-1-yl)-7-(trifluoromethyl)quinolin-1-ium-3-carboxylate Traditional Name: 4-(4-carbomethoxypiperidino)-7-(trifluoromethyl)quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C20H22F3N2O4+ MolecularWeight: 411.39489

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[NH+]=C2C=C(C=CC2=C1N3CCC(CC3)C(=O)OC)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C[NH+]=C2C=C(C=CC2=C1N3CCC(CC3)C(=O)OC)C(F)(F)F

InChI

InChI=1S/C20H21F3N2O4/c1-3-29-19(27)15-11-24-16-10-13(20(21,22)23)4-5-14(16)17(15)25-8-6-12(7-9-25)18(26)28-2/h4-5,10-12H,3,6-9H2,1-2H3/p+1