1-(7-ethanoylisoquinolin-6-yl)ethanone hydrate hydrobromide

Systemtic Name: 1-(7-ethanoylisoquinolin-6-yl)ethanone hydrate hydrobromide Openeye Name: 1-(7-acetyl-6-isoquinolyl)ethanone hydrate hydrobromide CAS Name: 1-(7-acetyl-6-isoquinolinyl)ethanone hydrate hydrobromide IUPAC Name: 1-(7-acetylisoquinolin-6-yl)ethanone hydrate hydrobromide Traditional Name: 1-(7-acetyl-6-isoquinolyl)ethanone hydrate hydrobromide Formula: C13H14BrNO3 MolecularWeight: 312.15916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=C2C=NC=CC2=C1)C(=O)C.O.Br

Isomeric SMILES

CC(=O)C1=C(C=C2C=NC=CC2=C1)C(=O)C.O.Br

InChI

InChI=1S/C13H11NO2.BrH.H2O/c1-8(15)12-5-10-3-4-14-7-11(10)6-13(12)9(2)16;;/h3-7H,1-2H3;1H;1H2