CHEBI:66878 - pseudooxynicotinium(1+)

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ChEBI Name pseudooxynicotinium(1+) ChEBI ID CHEBI:66878 Definition An organic cation that is the conjugate acid of pseudooxynicotine, obtained by protonation of the secondary amino group; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter KAX Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C10H15N2O Net Charge +1 Average Mass 179.23890 Monoisotopic Mass 179.11789 InChI InChI=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 InChIKey SGDIDUFQYHRMPR-UHFFFAOYSA-O SMILES C[NH2+]CCCC(=O)c1cccnc1 ChEBI Ontology Outgoing 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 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 Sources 4-(methylammonio)-1-(pyridin-3-yl)butan-1-one SUBMITTER pseudooxynicotine UniProt pseudooxynicotine(1+) ChEBI pseudooxynicotinium cation ChEBI Manual Xref Database CPD-14092 MetaCyc View more database links Citation Type Source 22267672 PubMed citation SUBMITTER Last Modified 10 August 2012