4-[[3,6-bis(ethoxycarbonyl)quinolin-1-ium-4-yl]amino]benzoic acid

Systemtic Name: 4-[[3,6-bis(ethoxycarbonyl)quinolin-1-ium-4-yl]amino]benzoic acid Openeye Name: 4-[[3,6-bis(ethoxycarbonyl)quinolin-1-ium-4-yl]amino]benzoic acid CAS Name: 4-[[3,6-bis(ethoxycarbonyl)-4-quinolin-1-iumyl]amino]benzoic acid IUPAC Name: 4-[[3,6-bis(ethoxycarbonyl)quinolin-1-ium-4-yl]amino]benzoic acid Traditional Name: 4-[(3,6-dicarbethoxyquinolin-1-ium-4-yl)amino]benzoic acid Formula: C22H21N2O6+ MolecularWeight: 409.41194

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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=C(C=C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O6/c1-3-29-21(27)14-7-10-18-16(11-14)19(17(12-23-18)22(28)30-4-2)24-15-8-5-13(6-9-15)20(25)26/h5-12H,3-4H2,1-2H3,(H,23,24)(H,25,26)/p+1