4-bromanyl-2,3-dimethyl-1-phenyl-1H-pyrazol-1-ium-5-one

Systemtic Name: 4-bromanyl-2,3-dimethyl-1-phenyl-1H-pyrazol-1-ium-5-one Openeye Name: 4-bromo-2,3-dimethyl-1-phenyl-1H-pyrazol-1-ium-5-one CAS Name: 4-bromo-2,3-dimethyl-1-phenyl-1H-pyrazol-1-ium-5-one IUPAC Name: 4-bromo-2,3-dimethyl-1-phenyl-1H-pyrazol-1-ium-5-one Traditional Name: 4-bromo-1,5-dimethyl-2-phenyl-3-pyrazolin-2-ium-3-one Formula: C11H12BrN2O+ MolecularWeight: 268.12978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)[NH+](N1C)C2=CC=CC=C2)Br

Isomeric SMILES

CC1=C(C(=O)[NH+](N1C)C2=CC=CC=C2)Br

InChI

InChI=1S/C11H11BrN2O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,1-2H3/p+1