6-bromanyl-4H-phthalazin-3-ium-1-one

Systemtic Name: 6-bromanyl-4H-phthalazin-3-ium-1-one Openeye Name: 6-bromo-4H-phthalazin-3-ium-1-one CAS Name: 6-bromo-4H-phthalazin-3-ium-1-one IUPAC Name: 6-bromo-4H-phthalazin-3-ium-1-one Traditional Name: 6-bromo-4H-phthalazin-3-ium-1-one Formula: C8H6BrN2O+ MolecularWeight: 226.05004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)Br)C(=O)N=[NH+]1

Isomeric SMILES

C1C2=C(C=CC(=C2)Br)C(=O)N=[NH+]1

InChI

InChI=1S/C8H5BrN2O/c9-6-1-2-7-5(3-6)4-10-11-8(7)12/h1-3H,4H2/p+1