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

Systemtic Name: O3-ethyl O6-methyl 4-[2-(2-hydroxyethyloxy)ethylamino]quinolin-1-ium-3,6-dicarboxylate Openeye Name: O3-ethyl O6-methyl 4-[2-(2-hydroxyethoxy)ethylamino]quinolin-1-ium-3,6-dicarboxylate CAS Name: 4-[2-(2-hydroxyethoxy)ethylamino]quinolin-1-ium-3,6-dicarboxylic acid O3-ethyl ester O6-methyl ester IUPAC Name: 3-O-ethyl 6-O-methyl 4-[2-(2-hydroxyethoxy)ethylamino]quinolin-1-ium-3,6-dicarboxylate Traditional Name: 4-[2-(2-hydroxyethoxy)ethylamino]quinolin-1-ium-3,6-dicarboxylic acid O3-ethyl ester O6-methyl ester Formula: C18H23N2O6+ MolecularWeight: 363.38502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[NH+]=C2C=CC(=CC2=C1NCCOCCO)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=C[NH+]=C2C=CC(=CC2=C1NCCOCCO)C(=O)OC

InChI

InChI=1S/C18H22N2O6/c1-3-26-18(23)14-11-20-15-5-4-12(17(22)24-2)10-13(15)16(14)19-6-8-25-9-7-21/h4-5,10-11,21H,3,6-9H2,1-2H3,(H,19,20)/p+1