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

Systemtic Name: 1-[4-[(3-bromanyl-4-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 1-[4-[(3-bromo-4-fluoro-phenyl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 1-[4-[(3-bromo-4-fluorophenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-[4-[(3-bromo-4-fluorophenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-(3-bromo-4-fluoro-benzyl)piperazin-4-ium-1-yl]ethanone Formula: C13H17BrFN2O+ MolecularWeight: 316.189283

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC2=CC(=C(C=C2)F)Br

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC2=CC(=C(C=C2)F)Br

InChI

InChI=1S/C13H16BrFN2O/c1-10(18)17-6-4-16(5-7-17)9-11-2-3-13(15)12(14)8-11/h2-3,8H,4-7,9H2,1H3/p+1