2-[4-[(3-bromanyl-4-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]pyrimidine

Systemtic Name: 2-[4-[(3-bromanyl-4-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-[(3-bromo-4-fluoro-phenyl)methyl]piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-[(3-bromo-4-fluorophenyl)methyl]-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-[(3-bromo-4-fluorophenyl)methyl]piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-[4-(3-bromo-4-fluoro-benzyl)piperazin-4-ium-1-yl]pyrimidine Formula: C15H17BrFN4+ MolecularWeight: 352.224683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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