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CHEBI:232337 - benzoquinonium dibromide

ChEBI IDCHEBI:232337
ChEBI Namebenzoquinonium dibromide
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FormulaC34H48N4O2.2HBr
Net Charge0
Average Mass706.608
Monoisotopic Mass704.23005
SMILESBr.Br.CC[N+](CC)(CCC[N-]C1=CC(=O)C([N-]CCC[N+](CC)(CC)Cc2ccccc2)=CC1=O)Cc1ccccc1
InChIInChI=1S/C34H48N4O2.2BrH/c1-5-37(6-2,27-29-17-11-9-12-18-29)23-15-21-35-31-25-34(40)32(26-33(31)39)36-22-16-24-38(7-3,8-4)28-30-19-13-10-14-20-30;;/h9-14,17-20,25-26H,5-8,15-16,21-24,27-28H2,1-4H3;2*1H
InChIKeyDVQZHWAYOLXTHE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
benzoquinonium dibromide (CHEBI:232337) is a cholinergic antagonist (CHEBI:48873)
IUPAC Name 
benzyl-[3-[[4-[3-[benzyl(diethyl)azaniumyl]propylamino]-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]propyl]-diethylazanium;dibromide
Citations