ethyl 4-[(3-chloranyl-4-methyl-phenyl)amino]-2-methyl-quinolin-1-ium-6-carboxylate chloride

Systemtic Name: ethyl 4-[(3-chloranyl-4-methyl-phenyl)amino]-2-methyl-quinolin-1-ium-6-carboxylate chloride Openeye Name: ethyl 4-(3-chloro-4-methyl-anilino)-2-methyl-quinolin-1-ium-6-carboxylate chloride CAS Name: 4-(3-chloro-4-methylanilino)-2-methyl-6-quinolin-1-iumcarboxylic acid ethyl ester chloride IUPAC Name: ethyl 4-(3-chloro-4-methylanilino)-2-methylquinolin-1-ium-6-carboxylate chloride Traditional Name: 4-(3-chloro-4-methyl-anilino)-2-methyl-quinolin-1-ium-6-carboxylic acid ethyl ester chloride Formula: C20H20Cl2N2O2 MolecularWeight: 391.291

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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)Cl)C.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O2.ClH/c1-4-25-20(24)14-6-8-18-16(10-14)19(9-13(3)22-18)23-15-7-5-12(2)17(21)11-15;/h5-11H,4H2,1-3H3,(H,22,23);1H