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CHEBI:73545 - acetyl-β-methylthiocholine iodide

ChEBI IDCHEBI:73545
ChEBI Nameacetyl-β-methylthiocholine iodide
Stars
ASCII Nameacetyl-beta-methylthiocholine iodide
DefinitionA quaternary ammonium salt that is the monoiodide salt of acetyl-β-methylthiocholine.
Last Modified15 May 2013
SubmitterSteve
DownloadsMolfile
FormulaC8H18NOS.I
Net Charge0
Average Mass303.209
Monoisotopic Mass303.01538
SMILESCC(=O)SC(C)C[N+](C)(C)C.[I-]
InChIInChI=1S/C8H18NOS.HI/c1-7(11-8(2)10)6-9(3,4)5;/h7H,6H2,1-5H3;1H/q+1;/p-1
InChIKeyXFWLTEMLPVNWIJ-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
acetyl-β-methylthiocholine iodide (CHEBI:73545) has part acetyl-β-methylthiocholine (CHEBI:73475)
acetyl-β-methylthiocholine iodide (CHEBI:73545) is a organic iodide salt (CHEBI:50356)
acetyl-β-methylthiocholine iodide (CHEBI:73545) is a quaternary ammonium salt (CHEBI:35273)
acetyl-β-methylthiocholine iodide (CHEBI:73545) is a thioester (CHEBI:51277)
IUPAC Name 
2-(acetylsulfanyl)-N,N,N-trimethylpropan-1-aminium iodide
Synonyms  Source
2-Acetylthiopropyltrimethylammonium iodideChemIDplus
S-acetyl-β-methylthiocholine iodideChEBI
acetyl-b-methylthiocholine iodideChEBI
Registry NumbersSources
Reaxys:3917049Reaxys
CAS:1866-17-7ChemIDplus
Citations