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CHEBI:641 - N-methyl-4-phenylpyridinium

Default Structure
ChEBI IDCHEBI:641
ChEBI NameN-methyl-4-phenylpyridinium
Stars
ASCII NameN-methyl-4-phenylpyridinium
DefinitionA pyridinium ion that is N-methylpyridinium having a phenyl substituent at the 4-position.
Last Modified16 February 2016
DownloadsMolfile
FormulaC12H12N
Net Charge+1
Average Mass170.235
Monoisotopic Mass170.09643
SMILESC[n+]1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H12N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3/q+1
InChIKeyFMGYKKMPNATWHP-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
neurotoxin  A poison that interferes with the functions of the nervous system.
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
Application:
herbicide  A substance used to destroy plant pests.
ChEBI Ontology
Outgoing Relation(s)
N-methyl-4-phenylpyridinium (CHEBI:641) has role apoptosis inducer (CHEBI:68495)
N-methyl-4-phenylpyridinium (CHEBI:641) has role herbicide (CHEBI:24527)
N-methyl-4-phenylpyridinium (CHEBI:641) has role human xenobiotic metabolite (CHEBI:76967)
N-methyl-4-phenylpyridinium (CHEBI:641) has role neurotoxin (CHEBI:50910)
N-methyl-4-phenylpyridinium (CHEBI:641) is a pyridinium ion (CHEBI:50334)
IUPAC Name 
1-methyl-4-phenylpyridinium
Synonyms  Source
1-Methyl-4-phenylpyridiniumKEGG COMPOUND
CyperquatKEGG COMPOUND
MPP+ChEBI
N-Methyl-4-phenylpyridineKEGG COMPOUND
N-Methyl-4-phenylpyridinium ionChemIDplus
UniProt Name  Source
N-methyl-4-phenylpyridineUniProt
Manual XrefsDatabases
2881PPDB
C11310KEGG COMPOUND
MPP%2BWikipedia
Registry NumbersSources
Reaxys:1618932Reaxys
Gmelin:329608Gmelin
CAS:48134-75-4ChemIDplus
CAS:48134-75-4KEGG COMPOUND
Citations