(4-carboxyphenyl)-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]azanium chloride

Systemtic Name: (4-carboxyphenyl)-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]azanium chloride Openeye Name: (4-carboxyphenyl)-[2-methyl-7-(trifluoromethyl)-4-quinolyl]ammonium chloride CAS Name: (4-carboxyphenyl)-[2-methyl-7-(trifluoromethyl)-4-quinolinyl]ammonium chloride IUPAC Name: (4-carboxyphenyl)-[2-methyl-7-(trifluoromethyl)quinolin-4-yl]azanium chloride Traditional Name: (4-carboxyphenyl)-[2-methyl-7-(trifluoromethyl)-4-quinolyl]ammonium chloride Formula: C18H14ClF3N2O2 MolecularWeight: 382.76417

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2)C(F)(F)F)C(=C1)[NH2+]C3=CC=C(C=C3)C(=O)O.[Cl-]

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)C(F)(F)F)C(=C1)[NH2+]C3=CC=C(C=C3)C(=O)O.[Cl-]

InChI

InChI=1S/C18H13F3N2O2.ClH/c1-10-8-15(23-13-5-2-11(3-6-13)17(24)25)14-7-4-12(18(19,20)21)9-16(14)22-10;/h2-9H,1H3,(H,22,23)(H,24,25);1H