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ChEBI
> Main
CHEBI:64132 - NAN 190(1+)
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ChEBI Name
NAN 190(1+)
ChEBI ID
CHEBI:64132
Definition
An organic cation obtained by selective protonation at position 1 of the piperidine ring in NAN 190.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C23H28N3O3
Net Charge
+1
Average Mass
394.48670
Monoisotopic Mass
394.21252
InChI
InChI=1S/C23H27N3O3/c1-
29-
21-
11-
5-
4-
10-
20(21)
25-
16-
14-
24(15-
17-
25)
12-
6-
7-
13-
26-
22(27)
18-
8-
2-
3-
9-
19(18)
23(26)
28/h2-
5,8-
11H,6-
7,12-
17H2,1H3/p+1
InChIKey
SJDOMIRMMUGQQK-UHFFFAOYSA-O
SMILES
COc1ccccc1N1CC[NH+](CCCCN2C(=O)c3ccccc3C2=O)CC1
ChEBI Ontology
Outgoing
NAN 190(1+) (
CHEBI:64132
)
is a
ammonium ion derivative (
CHEBI:35274
)
NAN 190(1+) (
CHEBI:64132
)
is a
organic cation (
CHEBI:25697
)
NAN 190(1+) (
CHEBI:64132
)
is conjugate acid of
NAN 190 (
CHEBI:64131
)
Incoming
NAN 190 hydrobromide (
CHEBI:64123
)
has part
NAN 190(1+) (
CHEBI:64132
)
NAN 190 (
CHEBI:64131
)
is conjugate base of
NAN 190(1+) (
CHEBI:64132
)
IUPAC Name
1-[4-(1,3-dioxo-1,3-dihydro-2
H
-isoindol-2-yl)butyl]-4-(2-methoxyphenyl)piperazin-1-ium
Synonym
Source
NAN 190 cation
ChEBI
Last Modified
20 February 2013