4-[(2-bromanyl-4-fluoranyl-phenyl)methyl]piperazin-4-ium-2-one

Systemtic Name: 4-[(2-bromanyl-4-fluoranyl-phenyl)methyl]piperazin-4-ium-2-one Openeye Name: 4-[(2-bromo-4-fluoro-phenyl)methyl]piperazin-4-ium-2-one CAS Name: 4-[(2-bromo-4-fluorophenyl)methyl]-2-piperazin-4-iumone IUPAC Name: 4-[(2-bromo-4-fluorophenyl)methyl]piperazin-4-ium-2-one Traditional Name: 4-(2-bromo-4-fluoro-benzyl)piperazin-4-ium-2-one Formula: C11H13BrFN2O+ MolecularWeight: 288.136123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CC2=C(C=C(C=C2)F)Br

Isomeric SMILES

C1C[NH+](CC(=O)N1)CC2=C(C=C(C=C2)F)Br

InChI

InChI=1S/C11H12BrFN2O/c12-10-5-9(13)2-1-8(10)6-15-4-3-14-11(16)7-15/h1-2,5H,3-4,6-7H2,(H,14,16)/p+1