ethyl 6-ethoxy-4-[(3-hydroxyphenyl)amino]quinolin-1-ium-3-carboxylate chloride

Systemtic Name: ethyl 6-ethoxy-4-[(3-hydroxyphenyl)amino]quinolin-1-ium-3-carboxylate chloride Openeye Name: ethyl 6-ethoxy-4-(3-hydroxyanilino)quinolin-1-ium-3-carboxylate chloride CAS Name: 6-ethoxy-4-(3-hydroxyanilino)-3-quinolin-1-iumcarboxylic acid ethyl ester chloride IUPAC Name: ethyl 6-ethoxy-4-(3-hydroxyanilino)quinolin-1-ium-3-carboxylate chloride Traditional Name: 6-ethoxy-4-(3-hydroxyanilino)quinolin-1-ium-3-carboxylic acid ethyl ester chloride Formula: C20H21ClN2O4 MolecularWeight: 388.84474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C(=C[NH+]=C2C=C1)C(=O)OCC)NC3=CC(=CC=C3)O.[Cl-]

Isomeric SMILES

CCOC1=CC2=C(C(=C[NH+]=C2C=C1)C(=O)OCC)NC3=CC(=CC=C3)O.[Cl-]

InChI

InChI=1S/C20H20N2O4.ClH/c1-3-25-15-8-9-18-16(11-15)19(17(12-21-18)20(24)26-4-2)22-13-6-5-7-14(23)10-13;/h5-12,23H,3-4H2,1-2H3,(H,21,22);1H