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ChEBI
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CHEBI:58567 - ajmalinium
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ChEBI Name
ajmalinium
ChEBI ID
CHEBI:58567
Definition
Conjugate acid of ajmaline.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C20H27N2O2
Net Charge
+1
Average Mass
327.44060
Monoisotopic Mass
327.20670
InChI
InChI=1S/C20H26N2O2/c1-
3-
10-
11-
8-
14-
17-
20(12-
6-
4-
5-
7-
13(12)
21(17)
2)
9-
15(16(11)
18(20)
23)
22(14)
19(10)
24/h4-
7,10-
11,14-
19,23-
24H,3,8-
9H2,1-
2H3/p+1/t10-
,11-
,14-
,15-
,16?,17-
,18+,19+,20+/m0/s1
InChIKey
CJDRUOGAGYHKKD-HEFSZTOGSA-O
SMILES
[H][C@@]12C[C@H]3[C@H](CC)[C@@H](O)[NH+]1[C@H]1C[C@@]4([C@H](O)C31)c1ccccc1N(C)[C@@]24[H]
ChEBI Ontology
Outgoing
ajmalinium (
CHEBI:58567
)
is a
ammonium ion derivative (
CHEBI:35274
)
ajmalinium (
CHEBI:58567
)
is conjugate acid of
ajmaline (
CHEBI:28462
)
Incoming
ajmaline (
CHEBI:28462
)
is conjugate base of
ajmalinium (
CHEBI:58567
)
IUPAC Name
ajmalan-4-ium-17α,21α-diol
Synonym
Source
ajmaline
UniProt
Last Modified
27 October 2017