diethyl 4-(2-hydroxyethylamino)quinolin-1-ium-3,6-dicarboxylate

Systemtic Name: diethyl 4-(2-hydroxyethylamino)quinolin-1-ium-3,6-dicarboxylate Openeye Name: diethyl 4-(2-hydroxyethylamino)quinolin-1-ium-3,6-dicarboxylate CAS Name: 4-(2-hydroxyethylamino)quinolin-1-ium-3,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-(2-hydroxyethylamino)quinolin-1-ium-3,6-dicarboxylate Traditional Name: 4-(2-hydroxyethylamino)quinolin-1-ium-3,6-dicarboxylic acid diethyl ester Formula: C17H21N2O5+ MolecularWeight: 333.35904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C(=C[NH+]=C2C=C1)C(=O)OCC)NCCO

Isomeric SMILES

CCOC(=O)C1=CC2=C(C(=C[NH+]=C2C=C1)C(=O)OCC)NCCO

InChI

InChI=1S/C17H20N2O5/c1-3-23-16(21)11-5-6-14-12(9-11)15(18-7-8-20)13(10-19-14)17(22)24-4-2/h5-6,9-10,20H,3-4,7-8H2,1-2H3,(H,18,19)/p+1