CHEBI:58567 - ajmalinium

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ChEBI Name ajmalinium
ChEBI ID CHEBI:58567
Definition Conjugate acid of ajmaline.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
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