ethyl 6-chloranyl-4-[2-(3,4-dimethoxyphenyl)ethylamino]-8-methyl-quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 6-chloranyl-4-[2-(3,4-dimethoxyphenyl)ethylamino]-8-methyl-quinolin-1-ium-3-carboxylate Openeye Name: ethyl 6-chloro-4-[2-(3,4-dimethoxyphenyl)ethylamino]-8-methyl-quinolin-1-ium-3-carboxylate CAS Name: 6-chloro-4-[2-(3,4-dimethoxyphenyl)ethylamino]-8-methyl-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 6-chloro-4-[2-(3,4-dimethoxyphenyl)ethylamino]-8-methylquinolin-1-ium-3-carboxylate Traditional Name: 6-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(C2=CC(=CC(=C2[NH+]=C1)C)Cl)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=CC(=C2[NH+]=C1)C)Cl)NCCC3=CC(=C(C=C3)OC)OC

InChI

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