diethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]quinolin-1-ium-3,6-dicarboxylate

Systemtic Name: diethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]quinolin-1-ium-3,6-dicarboxylate Openeye Name: diethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]quinolin-1-ium-3,6-dicarboxylate CAS Name: 4-[2-(3,4-dimethoxyphenyl)ethylamino]quinolin-1-ium-3,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]quinolin-1-ium-3,6-dicarboxylate Traditional Name: 4-(homoveratrylamino)quinolin-1-ium-3,6-dicarboxylic acid diethyl ester Formula: C25H29N2O6+ MolecularWeight: 453.50756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O6/c1-5-32-24(28)17-8-9-20-18(14-17)23(19(15-27-20)25(29)33-6-2)26-12-11-16-7-10-21(30-3)22(13-16)31-4/h7-10,13-15H,5-6,11-12H2,1-4H3,(H,26,27)/p+1