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CHEBI:178132 - 4-(4-Chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]-pyridinium (HPP+)

ChEBI IDCHEBI:178132
ChEBI Name4-(4-Chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]-pyridinium (HPP+)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H18ClFNO
Net Charge+1
Average Mass354.832
Monoisotopic Mass354.10555
SMILESO=C(CCC[n+]1ccc(-c2ccc(Cl)cc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C21H18ClFNO/c22-19-7-3-16(4-8-19)17-11-14-24(15-12-17)13-1-2-21(25)18-5-9-20(23)10-6-18/h3-12,14-15H,1-2,13H2/q+1
InChIKeyKAPIKUHBALFONG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Arisaema erubescens (ncbitaxon:228806) bulb (BTO:0000159) MetaboLights (MTBLS2858)
ChEBI Ontology
Outgoing Relation(s)
4-(4-Chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]-pyridinium (HPP+) (CHEBI:178132) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
4-[4-(4-chlorophenyl)pyridin-1-ium-1-yl]-1-(4-luorophenyl)butan-1-one
Manual XrefsDatabases
HMDB0061000HMDB
8151055ChemSpider
Registry NumbersSources
CAS:125785-69-5ChemIDplus