ethyl 7-chloranyl-4-[2-(3,4-dimethoxyphenyl)ethylamino]-8-methyl-quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 7-chloranyl-4-[2-(3,4-dimethoxyphenyl)ethylamino]-8-methyl-quinolin-1-ium-3-carboxylate Openeye Name: ethyl 7-chloro-4-[2-(3,4-dimethoxyphenyl)ethylamino]-8-methyl-quinolin-1-ium-3-carboxylate CAS Name: 7-chloro-4-[2-(3,4-dimethoxyphenyl)ethylamino]-8-methyl-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 7-chloro-4-[2-(3,4-dimethoxyphenyl)ethylamino]-8-methylquinolin-1-ium-3-carboxylate Traditional Name: 7-chloro-4-(homoveratrylamino)-8-methyl-quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C23H26ClN2O4+ MolecularWeight: 429.91654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[NH+]=C2C(=C(C=CC2=C1NCCC3=CC(=C(C=C3)OC)OC)Cl)C

Isomeric SMILES

CCOC(=O)C1=C[NH+]=C2C(=C(C=CC2=C1NCCC3=CC(=C(C=C3)OC)OC)Cl)C

InChI

InChI=1S/C23H25ClN2O4/c1-5-30-23(27)17-13-26-21-14(2)18(24)8-7-16(21)22(17)25-11-10-15-6-9-19(28-3)20(12-15)29-4/h6-9,12-13H,5,10-11H2,1-4H3,(H,25,26)/p+1