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

Systemtic Name: ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methoxy-quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methoxy-quinolin-1-ium-3-carboxylate CAS Name: 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methoxy-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methoxyquinolin-1-ium-3-carboxylate Traditional Name: 4-(homoveratrylamino)-6-methoxy-quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C23H27N2O5+ MolecularWeight: 411.47088

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)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O5/c1-5-30-23(26)18-14-25-19-8-7-16(27-2)13-17(19)22(18)24-11-10-15-6-9-20(28-3)21(12-15)29-4/h6-9,12-14H,5,10-11H2,1-4H3,(H,24,25)/p+1