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CHEBI:83355 - eliglustat(1+)

ChEBI IDCHEBI:83355
ChEBI Nameeliglustat(1+)
Stars
DefinitionAn organic cation obtained by protonation of the tertiary amino function of eliglustat.
Last Modified20 October 2014
SubmitterSteve
DownloadsMolfile
FormulaC23H37N2O4
Net Charge+1
Average Mass405.559
Monoisotopic Mass405.27478
SMILESCCCCCCCC(=O)N[C@H](C[NH+]1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C23H36N2O4/c1-2-3-4-5-6-9-22(26)24-19(17-25-12-7-8-13-25)23(27)18-10-11-20-21(16-18)29-15-14-28-20/h10-11,16,19,23,27H,2-9,12-15,17H2,1H3,(H,24,26)/p+1/t19-,23-/m1/s1
InChIKeyFJZZPCZKBUKGGU-AUSIDOKSSA-O
ChEBI Ontology
Outgoing Relation(s)
eliglustat(1+) (CHEBI:83355) is a ammonium ion derivative (CHEBI:35274)
eliglustat(1+) (CHEBI:83355) is a organic cation (CHEBI:25697)
eliglustat(1+) (CHEBI:83355) is conjugate acid of eliglustat (CHEBI:82752)
Incoming Relation(s)
eliglustat tartrate (CHEBI:83353) has part eliglustat(1+) (CHEBI:83355)
eliglustat (CHEBI:82752) is conjugate base of eliglustat(1+) (CHEBI:83355)
IUPAC Name 
1-[(2R,3R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-2-(octanoylamino)propyl]pyrrolidinium