1-[1,3-bis(oxidanyl)propan-2-yl]-7-oxidanyl-3,4-dihydro-2H-isoquinolin-6-one hydrobromide

Systemtic Name: 1-[1,3-bis(oxidanyl)propan-2-yl]-7-oxidanyl-3,4-dihydro-2H-isoquinolin-6-one hydrobromide Openeye Name: 7-hydroxy-1-[2-hydroxy-1-(hydroxymethyl)ethyl]-3,4-dihydro-2H-isoquinolin-6-one hydrobromide CAS Name: 1-(1,3-dihydroxypropan-2-yl)-7-hydroxy-3,4-dihydro-2H-isoquinolin-6-one hydrobromide IUPAC Name: 1-(1,3-dihydroxypropan-2-yl)-7-hydroxy-3,4-dihydro-2H-isoquinolin-6-one hydrobromide Traditional Name: 7-hydroxy-1-(2-hydroxy-1-methylol-ethyl)-3,4-dihydro-2H-isoquinolin-6-one hydrobromide Formula: C12H16BrNO4 MolecularWeight: 318.16374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=C2C1=CC(=O)C(=C2)O)C(CO)CO.Br

Isomeric SMILES

C1CNC(=C2C1=CC(=O)C(=C2)O)C(CO)CO.Br

InChI

InChI=1S/C12H15NO4.BrH/c14-5-8(6-15)12-9-4-11(17)10(16)3-7(9)1-2-13-12;/h3-4,8,13-15,17H,1-2,5-6H2;1H