3-[(6-chloranyl-3-ethoxycarbonyl-8-methyl-quinolin-1-ium-4-yl)amino]benzoic acid chloride

Systemtic Name: 3-[(6-chloranyl-3-ethoxycarbonyl-8-methyl-quinolin-1-ium-4-yl)amino]benzoic acid chloride Openeye Name: 3-[(6-chloro-3-ethoxycarbonyl-8-methyl-quinolin-1-ium-4-yl)amino]benzoic acid chloride CAS Name: 3-[(6-chloro-3-ethoxycarbonyl-8-methyl-4-quinolin-1-iumyl)amino]benzoic acid chloride IUPAC Name: 3-[(6-chloro-3-ethoxycarbonyl-8-methylquinolin-1-ium-4-yl)amino]benzoic acid chloride Traditional Name: 3-[(3-carbethoxy-6-chloro-8-methyl-quinolin-1-ium-4-yl)amino]benzoic acid chloride Formula: C20H18Cl2N2O4 MolecularWeight: 421.27392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN2O4.ClH/c1-3-27-20(26)16-10-22-17-11(2)7-13(21)9-15(17)18(16)23-14-6-4-5-12(8-14)19(24)25;/h4-10H,3H2,1-2H3,(H,22,23)(H,24,25);1H