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

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ChEBI Name 4-(4-Chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]-pyridinium (HPP+)
ChEBI ID CHEBI:178132
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H18ClFNO
Net Charge +1
Average Mass 354.830
Monoisotopic Mass 354.10555
InChI InChI=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
InChIKey KAPIKUHBALFONG-UHFFFAOYSA-N
SMILES ClC1=CC=C(C2=CC=[N+](CCCC(=O)C3=CC=C(F)C=C3)C=C2)C=C1
Metabolite of Species Details
Arisaema erubescens (NCBI:txid228806) Found in bulb (BTO:0000159). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
8151055 ChemSpider
HMDB0061000 HMDB
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Registry Number Type Source
125785-69-5 CAS Registry Number ChemIDplus