O3-ethyl O6-methyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]quinolin-1-ium-3,6-dicarboxylate

Systemtic Name: O3-ethyl O6-methyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]quinolin-1-ium-3,6-dicarboxylate Openeye Name: O3-ethyl O6-methyl 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 O3-ethyl ester O6-methyl ester IUPAC Name: 3-O-ethyl 6-O-methyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]quinolin-1-ium-3,6-dicarboxylate Traditional Name: 4-(homoveratrylamino)quinolin-1-ium-3,6-dicarboxylic acid O3-ethyl ester O6-methyl ester Formula: C24H27N2O6+ MolecularWeight: 439.48098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O6/c1-5-32-24(28)18-14-26-19-8-7-16(23(27)31-4)13-17(19)22(18)25-11-10-15-6-9-20(29-2)21(12-15)30-3/h6-9,12-14H,5,10-11H2,1-4H3,(H,25,26)/p+1