O3-ethyl O6-methyl 4-(2-hydroxyethylamino)quinolin-1-ium-3,6-dicarboxylate

Systemtic Name: O3-ethyl O6-methyl 4-(2-hydroxyethylamino)quinolin-1-ium-3,6-dicarboxylate Openeye Name: O3-ethyl O6-methyl 4-(2-hydroxyethylamino)quinolin-1-ium-3,6-dicarboxylate CAS Name: 4-(2-hydroxyethylamino)quinolin-1-ium-3,6-dicarboxylic acid O3-ethyl ester O6-methyl ester IUPAC Name: 3-O-ethyl 6-O-methyl 4-(2-hydroxyethylamino)quinolin-1-ium-3,6-dicarboxylate Traditional Name: 4-(2-hydroxyethylamino)quinolin-1-ium-3,6-dicarboxylic acid O3-ethyl ester O6-methyl ester Formula: C16H19N2O5+ MolecularWeight: 319.33246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[NH+]=C2C=CC(=CC2=C1NCCO)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=C[NH+]=C2C=CC(=CC2=C1NCCO)C(=O)OC

InChI

InChI=1S/C16H18N2O5/c1-3-23-16(21)12-9-18-13-5-4-10(15(20)22-2)8-11(13)14(12)17-6-7-19/h4-5,8-9,19H,3,6-7H2,1-2H3,(H,17,18)/p+1