CHEBI:77698 - oxiconazole(1+)

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ChEBI Name oxiconazole(1+)
ChEBI ID CHEBI:77698
Definition An imidazolium ion resulting from the protonation of the imidazole ring of oxiconazole.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C18H14Cl4N3O
Net Charge +1
Average Mass 430.13500
Monoisotopic Mass 427.98855
InChI InChI=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+
InChIKey QRJJEGAJXVEBNE-HKOYGPOVSA-O
SMILES Clc1ccc(CO\N=C(/Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)c(Cl)c1
ChEBI Ontology
Outgoing oxiconazole(1+) (CHEBI:77698) is a imidazolium ion (CHEBI:59964)
oxiconazole(1+) (CHEBI:77698) is conjugate acid of oxiconazole (CHEBI:7825)
Incoming 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
Last Modified
23 July 2015