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CHEBI:66878 - pseudooxynicotinium(1+)

ChEBI IDCHEBI:66878
ChEBI Namepseudooxynicotinium(1+)
Stars
DefinitionAn organic cation that is the conjugate acid of pseudooxynicotine, obtained by protonation of the secondary amino group; major species at pH 7.3.
Last Modified10 August 2012
SubmitterKAX
DownloadsMolfile
FormulaC10H15N2O
Net Charge+1
Average Mass179.243
Monoisotopic Mass179.11789
SMILESC[NH2+]CCCC(=O)c1cccnc1
InChIInChI=1S/C10H14N2O/c1-11-6-3-5-10(13)9-4-2-7-12-8-9/h2,4,7-8,11H,3,5-6H2,1H3/p+1
InChIKeySGDIDUFQYHRMPR-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
pseudooxynicotinium(1+) (CHEBI:66878) is a ammonium ion derivative (CHEBI:35274)
pseudooxynicotinium(1+) (CHEBI:66878) is a organic cation (CHEBI:25697)
pseudooxynicotinium(1+) (CHEBI:66878) is conjugate acid of pseudooxynicotine (CHEBI:37753)
Incoming Relation(s)
2,6-dihydroxypseudooxynicotinium(1+) (CHEBI:66944) has functional parent pseudooxynicotinium(1+) (CHEBI:66878)
pseudooxynicotine (CHEBI:37753) is conjugate base of pseudooxynicotinium(1+) (CHEBI:66878)
IUPAC Name 
N-methyl-4-oxo-4-(pyridin-3-yl)butan-1-aminium
Synonyms  Source
4-(methylammonio)-1-(pyridin-3-yl)butan-1-oneSUBMITTER
pseudooxynicotinium cationChEBI
pseudooxynicotine(1+)ChEBI
UniProt Name  Source
pseudooxynicotineUniProt
Manual XrefsDatabases
CPD-14092MetaCyc
Citations