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CHEBI:754569 - deditonium

Default Structure
ChEBI IDCHEBI:754569
ChEBI Namededitonium
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC38H66N2O2
Net Charge+2
Average Mass582.958
Monoisotopic Mass582.51133
SMILESCc1ccc(C(C)C)c(OCC[N+](C)(C)CCCCCCCCCC[N+](C)(C)CCOc2cc(C)ccc2C(C)C)c1
InChIInChI=1S/C38H66N2O2/c1-31(2)35-21-19-33(5)29-37(35)41-27-25-39(7,8)23-17-15-13-11-12-14-16-18-24-40(9,10)26-28-42-38-30-34(6)20-22-36(38)32(3)4/h19-22,29-32H,11-18,23-28H2,1-10H3/q+2
InChIKeyHDFVMCZXNURVCU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
deditonium (CHEBI:754569) is a quaternary ammonium salt (CHEBI:35273)
Synonyms  Source
Deditonium cationChEMBL
Deditonium ionChEMBL