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CHEBI:94725 - dimethyl-(phenylmethyl)-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]ammonium

ChEBI IDCHEBI:94725
ChEBI Namedimethyl-(phenylmethyl)-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]ammonium
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Last Modified22 February 2017
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FormulaC27H42NO2
Net Charge+1
Average Mass412.638
Monoisotopic Mass412.32101
SMILESCC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1
InChIInChI=1S/C27H42NO2/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23/h8-16H,17-22H2,1-7H3/q+1
InChIKeySIYLLGKDQZGJHK-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
dimethyl-(phenylmethyl)-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]ammonium (CHEBI:94725) is a alkylbenzene (CHEBI:38976)
Synonyms  Source
benzethonium chlorideDrugCentral
benzethionium chlorideDrugCentral
benzetonium chlorideDrugCentral
Manual XrefsDatabases
LSM-5804LINCS
3018DrugCentral
Registry NumbersSources
CAS:121-54-0DrugCentral