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CHEBI:145882 - (S,S)-2,5-di-(p-hydroxybenzyl)piperazine(1+)

ChEBI IDCHEBI:145882
ChEBI Name(S,S)-2,5-di-(p-hydroxybenzyl)piperazine(1+)
Stars
ASCII Name(S,S)-2,5-di-(p-hydroxybenzyl)piperazine(1+)
DefinitionAn ammonium ion derivative resulting from the protonation of one of the amino groups of (S,S)-2,5-di-(p-hydroxybenzyl)piperazine. The major species at pH 7.3.
Last Modified24 January 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC18H23N2O2
Net Charge+1
Average Mass299.394
Monoisotopic Mass299.17540
SMILESOc1ccc(C[C@H]2C[NH2+][C@@H](Cc3ccc(O)cc3)CN2)cc1
InChIInChI=1S/C18H22N2O2/c21-17-5-1-13(2-6-17)9-15-11-20-16(12-19-15)10-14-3-7-18(22)8-4-14/h1-8,15-16,19-22H,9-12H2/p+1/t15-,16-/m0/s1
InChIKeyCMWOCHXOAOFYCY-HOTGVXAUSA-O
ChEBI Ontology
Outgoing Relation(s)
(S,S)-2,5-di-(p-hydroxybenzyl)piperazine(1+) (CHEBI:145882) is a ammonium ion derivative (CHEBI:35274)
(S,S)-2,5-di-(p-hydroxybenzyl)piperazine(1+) (CHEBI:145882) is conjugate acid of (S,S)-2,5-di-(p-hydroxybenzyl)piperazine (CHEBI:145895)
Incoming Relation(s)
(S,S)-2,5-di-(p-hydroxybenzyl)piperazine (CHEBI:145895) is conjugate base of (S,S)-2,5-di-(p-hydroxybenzyl)piperazine(1+) (CHEBI:145882)
IUPAC Name 
(2S,5S)-2,5-bis(4-hydroxybenzyl)piperazin-1-ium
Synonyms  Source
4-{[(2S,5S)-5-[(4-hydroxyphenyl)methyl]piperazin-2-yl]methyl}phenol(1+)ChEBI
(2S,5S)-2,5-bis(p-hydroxybenzyl)piperazin-1-iumChEBI
UniProt Name  Source
(S,S)-2,5-di-(p-hydroxybenzyl)piperazineUniProt
Manual XrefsDatabases
CPD-21532MetaCyc
Citations