CHEBI:3566 - cetylpyridinium chloride monohydrate

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ChEBI Name cetylpyridinium chloride monohydrate
ChEBI ID CHEBI:3566
Stars This entity has been manually annotated by the ChEBI Team.
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Formulae C21H38N.H2O.Cl
C21H40ClNO
Net Charge 0
Average Mass 358.00100
Monoisotopic Mass 357.27984
InChI InChI=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
InChIKey NFCRBQADEGXVDL-UHFFFAOYSA-M
SMILES O.[Cl-].CCCCCCCCCCCCCCCC[n+]1ccccc1
ChEBI Ontology
Outgoing 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 Sources
1-hexadecylpyridinium chloride monohydrate ChemIDplus
cetylpyridinium chloride monohydrate ChemIDplus
Manual Xrefs Databases
C11307 KEGG COMPOUND
D01062 KEGG DRUG
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Registry Numbers Types Sources
6004-24-6 CAS Registry Number ChemIDplus
717786 Gmelin Registry Number Gmelin
Last Modified
28 July 2014