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InChI: InChI=1/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: InChIKey=NFCRBQADEGXVDL-REWHXWOFAE
SMILES: [Cl-].[H]O[H].CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1
CAS number 6004-24-6
Names:
Cetylpyridinium chloride
cetylpyridinium chloride monohydrate
1-hexadecylpyridinium chloride monohydrate
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Registries:
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PubChem CID 22324
CAS 6004-24-6 (from NIST)
ChEBI 3566
Gmelin 717786
Kegg C11307
PubChem ID 13482
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