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CHEBI:9703 - tridihexethyl chloride

ChEBI IDCHEBI:9703
ChEBI Nametridihexethyl chloride
Stars
Last Modified2 December 2008
DownloadsMolfile
FormulaC21H36NO.Cl
Net Charge0
Average Mass353.978
Monoisotopic Mass353.24854
SMILESCC[N+](CC)(CC)CCC(O)(c1ccccc1)C1CCCCC1.[Cl-]
InChIInChI=1S/C21H36NO.ClH/c1-4-22(5-2,6-3)18-17-21(23,19-13-9-7-10-14-19)20-15-11-8-12-16-20;/h7,9-10,13-14,20,23H,4-6,8,11-12,15-18H2,1-3H3;1H/q+1;/p-1
InChIKeyXJGONMZLEDGBRM-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
tridihexethyl chloride (CHEBI:9703) has part tridihexethyl (CHEBI:9701)
tridihexethyl chloride (CHEBI:9703) is a organic chloride salt (CHEBI:36094)
IUPAC Name 
3-cyclohexyl-N,N,N-triethyl-3-hydroxy-3-phenylpropan-1-aminium chloride
Synonym  Source
(3-Cyclohexyl-3-hydroxy-3-phenylpropyl)triethylammonium chlorideChemIDplus
Manual XrefsDatabases
DB00505DrugBank
D00723KEGG DRUG
Registry NumbersSources
Beilstein:4067320Beilstein
CAS:4310-35-4ChemIDplus