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

Systemtic Name: ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-ethoxy-quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-ethoxy-quinolin-1-ium-3-carboxylate CAS Name: 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-ethoxy-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-ethoxyquinolin-1-ium-3-carboxylate Traditional Name: 6-ethoxy-4-(homoveratrylamino)quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C24H29N2O5+ MolecularWeight: 425.49746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C(=C[NH+]=C2C=C1)C(=O)OCC)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCOC1=CC2=C(C(=C[NH+]=C2C=C1)C(=O)OCC)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C24H28N2O5/c1-5-30-17-8-9-20-18(14-17)23(19(15-26-20)24(27)31-6-2)25-12-11-16-7-10-21(28-3)22(13-16)29-4/h7-10,13-15H,5-6,11-12H2,1-4H3,(H,25,26)/p+1