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

Systemtic Name: ethyl 4-[(2,4-dimethylphenyl)amino]-2-methyl-quinolin-1-ium-6-carboxylate chloride Openeye Name: ethyl 4-(2,4-dimethylanilino)-2-methyl-quinolin-1-ium-6-carboxylate chloride CAS Name: 4-(2,4-dimethylanilino)-2-methyl-6-quinolin-1-iumcarboxylic acid ethyl ester chloride IUPAC Name: ethyl 4-(2,4-dimethylanilino)-2-methylquinolin-1-ium-6-carboxylate chloride Traditional Name: 4-(2,4-dimethylanilino)-2-methyl-quinolin-1-ium-6-carboxylic acid ethyl ester chloride Formula: C21H23ClN2O2 MolecularWeight: 370.87252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O2.ClH/c1-5-25-21(24)16-7-9-19-17(12-16)20(11-15(4)22-19)23-18-8-6-13(2)10-14(18)3;/h6-12H,5H2,1-4H3,(H,22,23);1H