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CHEBI:142661 - cis-(S)-nicotine N1'-oxide

ChEBI IDCHEBI:142661
ChEBI Namecis-(S)-nicotine N1'-oxide
Stars
ASCII Namecis-(S)-nicotine N(1')-oxide
DefinitionAn (S)-nicotine N1'-oxide in which the N1'-methyl group is on the same side of the pyrrolidine ring as the pyridine substituent. The major species at pH 7.3.
Last Modified21 January 2019
SubmitterAnne Morgat
DownloadsMolfile
FormulaC10H14N2O
Net Charge0
Average Mass178.235
Monoisotopic Mass178.11061
SMILES[H][C@@]1(c2cccnc2)CCC[N@@+]1(C)[O-]
InChIInChI=1S/C10H14N2O/c1-12(13)7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-,12+/m0/s1
InChIKeyRWFBQHICRCUQJJ-CMPLNLGQSA-N
ChEBI Ontology
Outgoing Relation(s)
cis-(S)-nicotine N1'-oxide (CHEBI:142661) is a (S)-nicotine N1'-oxide (CHEBI:142659)
IUPAC Name 
3-[(1R,2S)-1-methyl-1-oxidopyrrolidin-2-yl]pyridine
Synonym  Source
cis-NOXSUBMITTER
UniProt Name  Source
cis-(S)-nicotine N1'-oxideUniProt
Citations