ethyl 4-[(4-methoxycarbonylphenyl)amino]-2-methyl-quinolin-1-ium-6-carboxylate chloride

Systemtic Name: ethyl 4-[(4-methoxycarbonylphenyl)amino]-2-methyl-quinolin-1-ium-6-carboxylate chloride Openeye Name: ethyl 4-(4-methoxycarbonylanilino)-2-methyl-quinolin-1-ium-6-carboxylate chloride CAS Name: 4-(4-methoxycarbonylanilino)-2-methyl-6-quinolin-1-iumcarboxylic acid ethyl ester chloride IUPAC Name: ethyl 4-(4-methoxycarbonylanilino)-2-methylquinolin-1-ium-6-carboxylate chloride Traditional Name: 4-(4-carbomethoxyanilino)-2-methyl-quinolin-1-ium-6-carboxylic acid ethyl ester chloride Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)[NH+]=C(C=C2NC3=CC=C(C=C3)C(=O)OC)C.[Cl-]

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)[NH+]=C(C=C2NC3=CC=C(C=C3)C(=O)OC)C.[Cl-]

InChI

InChI=1S/C21H20N2O4.ClH/c1-4-27-21(25)15-7-10-18-17(12-15)19(11-13(2)22-18)23-16-8-5-14(6-9-16)20(24)26-3;/h5-12H,4H2,1-3H3,(H,22,23);1H