CHEBI:66941 - ecgononium methyl ester(1+)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name ecgononium methyl ester(1+)
ChEBI ID CHEBI:66941
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information
Download Molfile XML SDF
Formula C10H16NO3
Net Charge +1
Average Mass 198.23890
Monoisotopic Mass 198.11247
InChI InChI=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
InChIKey WXEMSGQRTGSYOG-LKEWCRSYSA-O
SMILES [H][C@]12CC[C@]([H])([C@H](C(=O)C1)C(=O)OC)[NH+]2C
ChEBI Ontology
Outgoing 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 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 Sources
2β-carbomethoxy-3-tropinone SUBMITTER
ecgonone methyl ester UniProt
methyl (1R,2R,5S)-8-methyl-3-oxo-8-azabicyclo[3.2.1]octane-2-carboxylate SUBMITTER
Citation Waiting for Citations Type Source
22665766 PubMed citation SUBMITTER
Last Modified
10 August 2012