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CHEBI:66941 - ecgononium methyl ester(1+)

ChEBI IDCHEBI:66941
ChEBI Nameecgononium methyl ester(1+)
Stars
DefinitionAn organic cation that is the conjugate acid of ecgonone methyl ester arising from protonation of the tertiary amino group; major species at pH 7.3.
Last Modified10 August 2012
SubmitterKAX
DownloadsMolfile
FormulaC10H16NO3
Net Charge+1
Average Mass198.242
Monoisotopic Mass198.11247
SMILES[H][C@]12CC[C@]([H])([C@@H](C(=O)OC)C(=O)C1)[NH+]2C
InChIInChI=1S/C10H15NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-7,9H,3-5H2,1-2H3/p+1/t6-,7+,9+/m0/s1
InChIKeyWXEMSGQRTGSYOG-LKEWCRSYSA-O
ChEBI Ontology
Outgoing Relation(s)
ecgononium methyl ester(1+) (CHEBI:66941) is a ammonium ion derivative (CHEBI:35274)
ecgononium methyl ester(1+) (CHEBI:66941) is a organic cation (CHEBI:25697)
ecgononium methyl ester(1+) (CHEBI:66941) is conjugate acid of ecgonone methyl ester (CHEBI:67115)
Incoming Relation(s)
ecgonone methyl ester (CHEBI:67115) is conjugate base of ecgononium methyl ester(1+) (CHEBI:66941)
IUPAC Name 
(1R,2R,5S)-2-(methoxycarbonyl)-8-methyl-3-oxo-8-azoniabicyclo[3.2.1]octane
Synonyms  Source
2β-carbomethoxy-3-tropinoneSUBMITTER
methyl (1R,2R,5S)-8-methyl-3-oxo-8-azabicyclo[3.2.1]octane-2-carboxylateSUBMITTER
UniProt Name  Source
ecgonone methyl esterUniProt
Citations