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CHEBI:77698 - oxiconazole(1+)

ChEBI IDCHEBI:77698
ChEBI Nameoxiconazole(1+)
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DefinitionAn imidazolium ion resulting from the protonation of the imidazole ring of oxiconazole.
Last Modified23 July 2015
SubmitterGareth Owen
DownloadsMolfile
FormulaC18H14Cl4N3O
Net Charge+1
Average Mass430.142
Monoisotopic Mass427.98855
SMILESClc1ccc(CO/N=C(\Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C18H13Cl4N3O/c19-13-2-1-12(16(21)7-13)10-26-24-18(9-25-6-5-23-11-25)15-4-3-14(20)8-17(15)22/h1-8,11H,9-10H2/p+1/b24-18+
InChIKeyQRJJEGAJXVEBNE-HKOYGPOVSA-O
ChEBI Ontology
Outgoing Relation(s)
oxiconazole(1+) (CHEBI:77698) is a imidazolium ion (CHEBI:59964)
oxiconazole(1+) (CHEBI:77698) is conjugate acid of oxiconazole (CHEBI:7825)
Incoming Relation(s)
oxiconazole nitrate (CHEBI:7826) has part oxiconazole(1+) (CHEBI:77698)
oxiconazole (CHEBI:7825) is conjugate base of oxiconazole(1+) (CHEBI:77698)
IUPAC Name 
1-[(2Z)-2-{[(2,4-dichlorobenzyl)oxy]imino}-2-(2,4-dichlorophenyl)ethyl]-1H-imidazol-3-ium