Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:77698 - oxiconazole(1+)
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
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
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
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-
[(2
Z
)-
2-
{[(2,4-
dichlorobenzyl)oxy]imino}-
2-
(2,4-
dichlorophenyl)ethyl]-
1
H
-
imidazol-
3-
ium
Last Modified
23 July 2015