4-[(3-ethoxycarbonylquinolin-1-ium-4-yl)amino]benzoic acid

Systemtic Name: 4-[(3-ethoxycarbonylquinolin-1-ium-4-yl)amino]benzoic acid Openeye Name: 4-[(3-ethoxycarbonylquinolin-1-ium-4-yl)amino]benzoic acid CAS Name: 4-[(3-ethoxycarbonyl-4-quinolin-1-iumyl)amino]benzoic acid IUPAC Name: 4-[(3-ethoxycarbonylquinolin-1-ium-4-yl)amino]benzoic acid Traditional Name: 4-[(3-carbethoxyquinolin-1-ium-4-yl)amino]benzoic acid Formula: C19H17N2O4+ MolecularWeight: 337.34928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2[NH+]=C1)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2[NH+]=C1)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H16N2O4/c1-2-25-19(24)15-11-20-16-6-4-3-5-14(16)17(15)21-13-9-7-12(8-10-13)18(22)23/h3-11H,2H2,1H3,(H,20,21)(H,22,23)/p+1