3-[(3-ethoxycarbonyl-8-methyl-quinolin-1-ium-4-yl)amino]benzoic acid

Systemtic Name: 3-[(3-ethoxycarbonyl-8-methyl-quinolin-1-ium-4-yl)amino]benzoic acid Openeye Name: 3-[(3-ethoxycarbonyl-8-methyl-quinolin-1-ium-4-yl)amino]benzoic acid CAS Name: 3-[(3-ethoxycarbonyl-8-methyl-4-quinolin-1-iumyl)amino]benzoic acid IUPAC Name: 3-[(3-ethoxycarbonyl-8-methylquinolin-1-ium-4-yl)amino]benzoic acid Traditional Name: 3-[(3-carbethoxy-8-methyl-quinolin-1-ium-4-yl)amino]benzoic acid Formula: C20H19N2O4+ MolecularWeight: 351.37586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O4/c1-3-26-20(25)16-11-21-17-12(2)6-4-9-15(17)18(16)22-14-8-5-7-13(10-14)19(23)24/h4-11H,3H2,1-2H3,(H,21,22)(H,23,24)/p+1