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CHEBI:58567 - ajmalinium

Default Structure
ChEBI IDCHEBI:58567
ChEBI Nameajmalinium
Stars
DefinitionConjugate acid of ajmaline.
Last Modified27 October 2017
DownloadsMolfile
FormulaC20H27N2O2
Net Charge+1
Average Mass327.448
Monoisotopic Mass327.20670
SMILES[H][C@@]12N(C)c3ccccc3[C@]13C[C@H]1C([C@H]4C[C@]2([H])[NH+]1[C@H](O)[C@H]4CC)[C@H]3O
InChIInChI=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
InChIKeyCJDRUOGAGYHKKD-HEFSZTOGSA-O
ChEBI Ontology
Outgoing Relation(s)
ajmalinium (CHEBI:58567) is a ammonium ion derivative (CHEBI:35274)
ajmalinium (CHEBI:58567) is conjugate acid of ajmaline (CHEBI:28462)
Incoming Relation(s)
ajmaline (CHEBI:28462) is conjugate base of ajmalinium (CHEBI:58567)
IUPAC Name 
ajmalan-4-ium-17α,21α-diol
UniProt Name  Source
ajmalineUniProt