2-[4-[(4-bromanyl-2-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]pyrimidine

Systemtic Name: 2-[4-[(4-bromanyl-2-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-[(4-bromo-2-fluoro-phenyl)methyl]piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-[(4-bromo-2-fluorophenyl)methyl]-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-[(4-bromo-2-fluorophenyl)methyl]piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-[4-(4-bromo-2-fluoro-benzyl)piperazin-4-ium-1-yl]pyrimidine Formula: C15H17BrFN4+ MolecularWeight: 352.224683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=C(C=C2)Br)F)C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=C(C=C2)Br)F)C3=NC=CC=N3

InChI

InChI=1S/C15H16BrFN4/c16-13-3-2-12(14(17)10-13)11-20-6-8-21(9-7-20)15-18-4-1-5-19-15/h1-5,10H,6-9,11H2/p+1