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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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