O3-ethyl O6-methyl 4-[(4-hydroxyphenyl)amino]quinolin-1-ium-3,6-dicarboxylate chloride

Systemtic Name: O3-ethyl O6-methyl 4-[(4-hydroxyphenyl)amino]quinolin-1-ium-3,6-dicarboxylate chloride Openeye Name: O3-ethyl O6-methyl 4-(4-hydroxyanilino)quinolin-1-ium-3,6-dicarboxylate chloride CAS Name: 4-(4-hydroxyanilino)quinolin-1-ium-3,6-dicarboxylic acid O3-ethyl ester O6-methyl ester chloride IUPAC Name: 3-O-ethyl 6-O-methyl 4-(4-hydroxyanilino)quinolin-1-ium-3,6-dicarboxylate chloride Traditional Name: 4-(4-hydroxyanilino)quinolin-1-ium-3,6-dicarboxylic acid O3-ethyl ester O6-methyl ester chloride Formula: C20H19ClN2O5 MolecularWeight: 402.82826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[NH+]=C2C=CC(=CC2=C1NC3=CC=C(C=C3)O)C(=O)OC.[Cl-]

Isomeric SMILES

CCOC(=O)C1=C[NH+]=C2C=CC(=CC2=C1NC3=CC=C(C=C3)O)C(=O)OC.[Cl-]

InChI

InChI=1S/C20H18N2O5.ClH/c1-3-27-20(25)16-11-21-17-9-4-12(19(24)26-2)10-15(17)18(16)22-13-5-7-14(23)8-6-13;/h4-11,23H,3H2,1-2H3,(H,21,22);1H