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CHEBI:9702 - tridihexethyl bromide

ChEBI IDCHEBI:9702
ChEBI Nametridihexethyl bromide
Stars
Last Modified2 December 2008
DownloadsMolfile
FormulaBr.C21H36NO
Net Charge0
Average Mass398.429
Monoisotopic Mass397.19803
SMILESCC[N+](CC)(CC)CCC(O)(c1ccccc1)C1CCCCC1.[Br-]
InChIInChI=1S/C21H36NO.BrH/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
InChIKeyNXKAZKHSCKBZCB-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
tridihexethyl bromide (CHEBI:9702) has part tridihexethyl (CHEBI:9701)
tridihexethyl bromide (CHEBI:9702) is a organic bromide salt (CHEBI:48369)
IUPAC Name 
3-cyclohexyl-N,N,N-triethyl-3-hydroxy-3-phenylpropan-1-aminium bromide
Synonym  Source
Tridihexethyl bromideKEGG COMPOUND
Manual XrefsDatabases
C11761KEGG COMPOUND
DB00505DrugBank
Registry NumbersSources
Beilstein:3804036Beilstein