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

Systemtic Name: ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-8-methyl-quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-8-methyl-quinolin-1-ium-3-carboxylate CAS Name: 4-[2-(3,4-dimethoxyphenyl)ethylamino]-8-methyl-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-8-methylquinolin-1-ium-3-carboxylate Traditional Name: 4-(homoveratrylamino)-8-methyl-quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C23H27N2O4+ MolecularWeight: 395.47148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O4/c1-5-29-23(26)18-14-25-21-15(2)7-6-8-17(21)22(18)24-12-11-16-9-10-19(27-3)20(13-16)28-4/h6-10,13-14H,5,11-12H2,1-4H3,(H,24,25)/p+1