2H-isoquinolin-1-one hydrate hydrochloride

Systemtic Name: 2H-isoquinolin-1-one hydrate hydrochloride Openeye Name: 2H-isoquinolin-1-one hydrate hydrochloride CAS Name: 2H-isoquinolin-1-one hydrate hydrochloride IUPAC Name: 2H-isoquinolin-1-one hydrate hydrochloride Traditional Name: isocarbostyril hydrate hydrochloride Formula: C9H10ClNO2 MolecularWeight: 199.6342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CNC2=O.O.Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=CNC2=O.O.Cl

InChI

InChI=1S/C9H7NO.ClH.H2O/c11-9-8-4-2-1-3-7(8)5-6-10-9;;/h1-6H,(H,10,11);1H;1H2