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CHEBI:59068 - penotonium cation
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ChEBI Name
penotonium cation
ChEBI ID
CHEBI:59068
Definition
A carboxylic ester having diphenylacetic acid as the carboxylic acid component and a 2-(trialkylammonium)ethanol as the alcohol component.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
ChemicalBook:CB0350572
,
ZINC000000519823
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Formula
C23H32NO2
Net Charge
+1
Average Mass
354.50570
Monoisotopic Mass
354.24276
InChI
InChI=1S/C23H32NO2/c1-
4-
17-
24(5-
2,6-
3)
18-
19-
26-
23(25)
22(20-
13-
9-
7-
10-
14-
20)
21-
15-
11-
8-
12-
16-
21/h7-
16,22H,4-
6,17-
19H2,1-
3H3/q+1
InChIKey
OVDHXXNKOQAGFQ-UHFFFAOYSA-N
SMILES
CCC[N+](CC)(CC)CCOC(=O)C(c1ccccc1)c1ccccc1
ChEBI Ontology
Outgoing
penotonium cation (
CHEBI:59068
)
is a
quaternary ammonium ion (
CHEBI:35267
)
Incoming
penotonium bromide (
CHEBI:59067
)
has part
penotonium cation (
CHEBI:59068
)
IUPAC Name
N
-[2-(2,2-diphenylacetoxy)ethyl]-
N
,
N
-diethylpropan-1-aminium
Synonym
Source
penotonium ion
ChEBI
Last Modified
06 April 2010