4-(2-oxidanylpropylamino)quinoline-3,6-dicarboxylic acid hydrochloride

Systemtic Name: 4-(2-oxidanylpropylamino)quinoline-3,6-dicarboxylic acid hydrochloride Openeye Name: 4-(2-hydroxypropylamino)quinoline-3,6-dicarboxylic acid hydrochloride CAS Name: 4-(2-hydroxypropylamino)quinoline-3,6-dicarboxylic acid hydrochloride IUPAC Name: 4-(2-hydroxypropylamino)quinoline-3,6-dicarboxylic acid hydrochloride Traditional Name: 4-(2-hydroxypropylamino)quinoline-3,6-dicarboxylic acid hydrochloride Formula: C14H15ClN2O5 MolecularWeight: 326.7323

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=C2C=C(C=CC2=NC=C1C(=O)O)C(=O)O)O.Cl

Isomeric SMILES

CC(CNC1=C2C=C(C=CC2=NC=C1C(=O)O)C(=O)O)O.Cl

InChI

InChI=1S/C14H14N2O5.ClH/c1-7(17)5-16-12-9-4-8(13(18)19)2-3-11(9)15-6-10(12)14(20)21;/h2-4,6-7,17H,5H2,1H3,(H,15,16)(H,18,19)(H,20,21);1H