ethyl 4-morpholin-4-yl-2-(trifluoromethyl)quinolin-1-ium-6-carboxylate

Systemtic Name: ethyl 4-morpholin-4-yl-2-(trifluoromethyl)quinolin-1-ium-6-carboxylate Openeye Name: ethyl 4-morpholino-2-(trifluoromethyl)quinolin-1-ium-6-carboxylate CAS Name: 4-(4-morpholinyl)-2-(trifluoromethyl)-6-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-morpholin-4-yl-2-(trifluoromethyl)quinolin-1-ium-6-carboxylate Traditional Name: 4-morpholino-2-(trifluoromethyl)quinolin-1-ium-6-carboxylic acid ethyl ester Formula: C17H18F3N2O3+ MolecularWeight: 355.33163

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)[NH+]=C(C=C2N3CCOCC3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)[NH+]=C(C=C2N3CCOCC3)C(F)(F)F

InChI

InChI=1S/C17H17F3N2O3/c1-2-25-16(23)11-3-4-13-12(9-11)14(22-5-7-24-8-6-22)10-15(21-13)17(18,19)20/h3-4,9-10H,2,5-8H2,1H3/p+1