4-bromanyl-6,7-dimethoxy-1-methyl-2H-isoquinolin-3-one hydrate hydrobromide

Systemtic Name: 4-bromanyl-6,7-dimethoxy-1-methyl-2H-isoquinolin-3-one hydrate hydrobromide Openeye Name: 4-bromo-6,7-dimethoxy-1-methyl-2H-isoquinolin-3-one hydrate hydrobromide CAS Name: 4-bromo-6,7-dimethoxy-1-methyl-2H-isoquinolin-3-one hydrate hydrobromide IUPAC Name: 4-bromo-6,7-dimethoxy-1-methyl-2H-isoquinolin-3-one hydrate hydrobromide Traditional Name: 4-bromo-6,7-dimethoxy-1-methyl-3-isoquinolone hydrate hydrobromide Formula: C12H15Br2NO4 MolecularWeight: 397.0598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(=CC2=C(C(=O)N1)Br)OC)OC.O.Br

Isomeric SMILES

CC1=C2C=C(C(=CC2=C(C(=O)N1)Br)OC)OC.O.Br

InChI

InChI=1S/C12H12BrNO3.BrH.H2O/c1-6-7-4-9(16-2)10(17-3)5-8(7)11(13)12(15)14-6;;/h4-5H,1-3H3,(H,14,15);1H;1H2