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CHEBI:3566 - cetylpyridinium chloride monohydrate

ChEBI IDCHEBI:3566
ChEBI Namecetylpyridinium chloride monohydrate
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC21H38N.Cl.H2O
Net Charge0
Average Mass358.010
Monoisotopic Mass357.27984
SMILESCCCCCCCCCCCCCCCC[n+]1ccccc1.O.[Cl-]
InChIInChI=1S/C21H38N.ClH.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;;/h15,17-18,20-21H,2-14,16,19H2,1H3;1H;1H2/q+1;;/p-1
InChIKeyNFCRBQADEGXVDL-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
cetylpyridinium chloride monohydrate (CHEBI:3566) has part cetylpyridinium chloride (CHEBI:32915)
cetylpyridinium chloride monohydrate (CHEBI:3566) is a hydrate (CHEBI:35505)
IUPAC Name 
1-hexadecylpyridinium chloride—water (1/1)
Synonyms  Source
cetylpyridinium chloride monohydrateChemIDplus
1-hexadecylpyridinium chloride monohydrateChemIDplus
Manual XrefsDatabases
C11307KEGG COMPOUND
D01062KEGG DRUG
Registry NumbersSources
Gmelin:717786Gmelin
CAS:6004-24-6KEGG COMPOUND
CAS:6004-24-6ChemIDplus