ethyl 2-methyl-4-[[3-(trifluoromethyl)phenyl]amino]quinolin-1-ium-6-carboxylate chloride

Systemtic Name: ethyl 2-methyl-4-[[3-(trifluoromethyl)phenyl]amino]quinolin-1-ium-6-carboxylate chloride Openeye Name: ethyl 2-methyl-4-[3-(trifluoromethyl)anilino]quinolin-1-ium-6-carboxylate chloride CAS Name: 2-methyl-4-[3-(trifluoromethyl)anilino]-6-quinolin-1-iumcarboxylic acid ethyl ester chloride IUPAC Name: ethyl 2-methyl-4-[3-(trifluoromethyl)anilino]quinolin-1-ium-6-carboxylate chloride Traditional Name: 2-methyl-4-[3-(trifluoromethyl)anilino]quinolin-1-ium-6-carboxylic acid ethyl ester chloride Formula: C20H18ClF3N2O2 MolecularWeight: 410.81733

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)[NH+]=C(C=C2NC3=CC=CC(=C3)C(F)(F)F)C.[Cl-]

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)[NH+]=C(C=C2NC3=CC=CC(=C3)C(F)(F)F)C.[Cl-]

InChI

InChI=1S/C20H17F3N2O2.ClH/c1-3-27-19(26)13-7-8-17-16(10-13)18(9-12(2)24-17)25-15-6-4-5-14(11-15)20(21,22)23;/h4-11H,3H2,1-2H3,(H,24,25);1H