diethyl 4-[(3-hydroxyphenyl)amino]quinolin-1-ium-3,6-dicarboxylate

Systemtic Name: diethyl 4-[(3-hydroxyphenyl)amino]quinolin-1-ium-3,6-dicarboxylate Openeye Name: diethyl 4-(3-hydroxyanilino)quinolin-1-ium-3,6-dicarboxylate CAS Name: 4-(3-hydroxyanilino)quinolin-1-ium-3,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-(3-hydroxyanilino)quinolin-1-ium-3,6-dicarboxylate Traditional Name: 4-(3-hydroxyanilino)quinolin-1-ium-3,6-dicarboxylic acid diethyl ester Formula: C21H21N2O5+ MolecularWeight: 381.40184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C(=C[NH+]=C2C=C1)C(=O)OCC)NC3=CC(=CC=C3)O

Isomeric SMILES

CCOC(=O)C1=CC2=C(C(=C[NH+]=C2C=C1)C(=O)OCC)NC3=CC(=CC=C3)O

InChI

InChI=1S/C21H20N2O5/c1-3-27-20(25)13-8-9-18-16(10-13)19(17(12-22-18)21(26)28-4-2)23-14-6-5-7-15(24)11-14/h5-12,24H,3-4H2,1-2H3,(H,22,23)/p+1