diazanium 2-[4-(4-carboxylatoquinolin-2-yl)phenyl]quinoline-4-carboxylate

Systemtic Name: diazanium 2-[4-(4-carboxylatoquinolin-2-yl)phenyl]quinoline-4-carboxylate Openeye Name: diammonium 2-[4-(4-carboxylato-2-quinolyl)phenyl]quinoline-4-carboxylate CAS Name: diammonium 2-[4-(4-carboxylato-2-quinolinyl)phenyl]-4-quinolinecarboxylate IUPAC Name: diazanium 2-[4-(4-carboxylatoquinolin-2-yl)phenyl]quinoline-4-carboxylate Traditional Name: diammonium 2-[4-(4-carboxylato-2-quinolyl)phenyl]cinchoninate Formula: C26H22N4O4 MolecularWeight: 454.47728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)C4=NC5=CC=CC=C5C(=C4)C(=O)[O-])C(=O)[O-].[NH4+].[NH4+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)C4=NC5=CC=CC=C5C(=C4)C(=O)[O-])C(=O)[O-].[NH4+].[NH4+]

InChI

InChI=1S/C26H16N2O4.2H3N/c29-25(30)19-13-23(27-21-7-3-1-5-17(19)21)15-9-11-16(12-10-15)24-14-20(26(31)32)18-6-2-4-8-22(18)28-24;;/h1-14H,(H,29,30)(H,31,32);2*1H3