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CHEBI:2417 - acetylcholine chloride

ChEBI IDCHEBI:2417
ChEBI Nameacetylcholine chloride
Stars
DefinitionThe chloride salt of acetylcholine, and a parasympatomimetic drug.
Last Modified28 July 2014
DownloadsMolfile
FormulaC7H16NO2.Cl
Net Charge0
Average Mass181.663
Monoisotopic Mass181.08696
SMILESCC(=O)OCC[N+](C)(C)C.[Cl-]
InChIInChI=1S/C7H16NO2.ClH/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1
InChIKeyJUGOREOARAHOCO-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
acetylcholine chloride (CHEBI:2417) has part acetylcholine (CHEBI:15355)
acetylcholine chloride (CHEBI:2417) is a quaternary ammonium salt (CHEBI:35273)
IUPAC Name 
2-acetyloxy-N,N,N-trimethylethanaminium chloride
Synonyms  Source
Acetylcholine chlorideKEGG COMPOUND
ChloroacetylcholineChemIDplus
(2-Hydroxyethyl)trimethylammonium chloride acetateChemIDplus
MiocholChemIDplus
2-Acetoxyethyltrimethylammonium chlorideChemIDplus
Manual XrefsDatabases
C08201KEGG COMPOUND
D00999KEGG DRUG
Registry NumbersSources
Beilstein:3571875Beilstein
CAS:60-31-1KEGG COMPOUND
CAS:60-31-1ChemIDplus