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:77716 - oxymetazoline(1+)
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
oxymetazoline(1+)
ChEBI ID
CHEBI:77716
Definition
A carboxamidinium ion resulting from the protonation of the carboxamidine group of oxymetazoline. It is the major species at pH 7.3.
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
C16H25N2O
Net Charge
+1
Average Mass
261.38200
Monoisotopic Mass
261.19614
InChI
InChI=1S/C16H24N2O/c1-
10-
8-
13(16(3,4)
5)
15(19)
11(2)
12(10)
9-
14-
17-
6-
7-
18-
14/h8,19H,6-
7,9H2,1-
5H3,(H,17,18)
/p+1
InChIKey
WYWIFABBXFUGLM-UHFFFAOYSA-O
SMILES
Cc1cc(c(O)c(C)c1CC1=[NH+]CCN1)C(C)(C)C
ChEBI Ontology
Outgoing
oxymetazoline(1+) (
CHEBI:77716
)
is a
carboxamidinium ion (
CHEBI:77718
)
oxymetazoline(1+) (
CHEBI:77716
)
is conjugate acid of
oxymetazoline (
CHEBI:7862
)
Incoming
oxymetazoline hydrochloride (
CHEBI:7863
)
has part
oxymetazoline(1+) (
CHEBI:77716
)
oxymetazoline (
CHEBI:7862
)
is conjugate base of
oxymetazoline(1+) (
CHEBI:77716
)
IUPAC Name
2-(4-
tert
-butyl-3-hydroxy-2,6-dimethylbenzyl)-4,5-dihydro-1
H
-imidazol-1-ium
Last Modified
17 March 2014