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CHEBI:31510 - Diponium bromide

ChEBI IDCHEBI:31510
ChEBI NameDiponium bromide
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaBr.C20H38NO2
Net Charge0
Average Mass404.433
Monoisotopic Mass403.20859
SMILESCC[N+](CC)(CC)CCOC(=O)C(C1CCCC1)C1CCCC1.[Br-]
InChIInChI=1S/C20H38NO2.BrH/c1-4-21(5-2,6-3)15-16-23-20(22)19(17-11-7-8-12-17)18-13-9-10-14-18;/h17-19H,4-16H2,1-3H3;1H/q+1;/p-1
InChIKeyADZXDFALMZGPTN-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
Diponium bromide (CHEBI:31510) is a quaternary ammonium salt (CHEBI:35273)
Synonyms  Source
Diponium bromideKEGG COMPOUND
Dipenine bromideKEGG COMPOUND
Manual XrefsDatabases
D01463KEGG DRUG
Registry NumbersSources
CAS:2001-81-2KEGG COMPOUND