ethyl 4-[(4-methoxyphenyl)methylamino]-7-(trifluoromethyl)quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 4-[(4-methoxyphenyl)methylamino]-7-(trifluoromethyl)quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-[(4-methoxyphenyl)methylamino]-7-(trifluoromethyl)quinolin-1-ium-3-carboxylate CAS Name: 4-[(4-methoxyphenyl)methylamino]-7-(trifluoromethyl)-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-methoxyphenyl)methylamino]-7-(trifluoromethyl)quinolin-1-ium-3-carboxylate Traditional Name: 4-(p-anisylamino)-7-(trifluoromethyl)quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C21H20F3N2O3+ MolecularWeight: 405.39031

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[NH+]=C2C=C(C=CC2=C1NCC3=CC=C(C=C3)OC)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C[NH+]=C2C=C(C=CC2=C1NCC3=CC=C(C=C3)OC)C(F)(F)F

InChI

InChI=1S/C21H19F3N2O3/c1-3-29-20(27)17-12-25-18-10-14(21(22,23)24)6-9-16(18)19(17)26-11-13-4-7-15(28-2)8-5-13/h4-10,12H,3,11H2,1-2H3,(H,25,26)/p+1