ethyl 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(trifluoromethyl)quinolin-1-ium-6-carboxylate

Systemtic Name: ethyl 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(trifluoromethyl)quinolin-1-ium-6-carboxylate Openeye Name: ethyl 4-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-(trifluoromethyl)quinolin-1-ium-6-carboxylate CAS Name: 4-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-2-(trifluoromethyl)-6-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(trifluoromethyl)quinolin-1-ium-6-carboxylate Traditional Name: 4-[(3R,5R)-3,5-dimethylpiperidino]-2-(trifluoromethyl)quinolin-1-ium-6-carboxylic acid ethyl ester Formula: C20H24F3N2O2+ MolecularWeight: 381.41197

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)[NH+]=C(C=C2N3CC(CC(C3)C)C)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)[NH+]=C(C=C2N3C[C@@H](C[C@H](C3)C)C)C(F)(F)F

InChI

InChI=1S/C20H23F3N2O2/c1-4-27-19(26)14-5-6-16-15(8-14)17(9-18(24-16)20(21,22)23)25-10-12(2)7-13(3)11-25/h5-6,8-9,12-13H,4,7,10-11H2,1-3H3/p+1/t12-,13-/m1/s1