2-azanyl-3-(2-oxidanylidene-1H-quinolin-4-yl)propanoic acid dihydrate dihydrochloride

Systemtic Name: 2-azanyl-3-(2-oxidanylidene-1H-quinolin-4-yl)propanoic acid dihydrate dihydrochloride Openeye Name: 2-amino-3-(2-oxo-1H-quinolin-4-yl)propanoic acid dihydrate dihydrochloride CAS Name: 2-amino-3-(2-oxo-1H-quinolin-4-yl)propanoic acid dihydrate dihydrochloride IUPAC Name: 2-amino-3-(2-oxo-1H-quinolin-4-yl)propanoic acid dihydrate dihydrochloride Traditional Name: 2-amino-3-(2-keto-1H-quinolin-4-yl)propionic acid dihydrate dihydrochloride Formula: C12H18Cl2N2O5 MolecularWeight: 341.18772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=O)N2)CC(C(=O)O)N.O.O.Cl.Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=O)N2)CC(C(=O)O)N.O.O.Cl.Cl

InChI

InChI=1S/C12H12N2O3.2ClH.2H2O/c13-9(12(16)17)5-7-6-11(15)14-10-4-2-1-3-8(7)10;;;;/h1-4,6,9H,5,13H2,(H,14,15)(H,16,17);2*1H;2*1H2