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CHEBI:64059 - 4-(3-chlorophenyl)-1-(2-hydroxy-3,3-diphenylpropyl)piperazin-1-ium(1+)

ChEBI IDCHEBI:64059
ChEBI Name4-(3-chlorophenyl)-1-(2-hydroxy-3,3-diphenylpropyl)piperazin-1-ium(1+)
Stars
DefinitionAn organic cation that is the conjugate acid of 3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol, arising from selective protonation of one of the piperazine nitrogens.
Last Modified1 March 2012
SubmitterSteve
DownloadsMolfile
FormulaC25H28ClN2O
Net Charge+1
Average Mass407.965
Monoisotopic Mass407.18847
SMILESOC(C[NH+]1CCN(c2cccc(Cl)c2)CC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H27ClN2O/c26-22-12-7-13-23(18-22)28-16-14-27(15-17-28)19-24(29)25(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-13,18,24-25,29H,14-17,19H2/p+1
InChIKeyQJHCTHPYUOXOGM-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
4-(3-chlorophenyl)-1-(2-hydroxy-3,3-diphenylpropyl)piperazin-1-ium(1+) (CHEBI:64059) is a ammonium ion derivative (CHEBI:35274)
4-(3-chlorophenyl)-1-(2-hydroxy-3,3-diphenylpropyl)piperazin-1-ium(1+) (CHEBI:64059) is a organic cation (CHEBI:25697)
4-(3-chlorophenyl)-1-(2-hydroxy-3,3-diphenylpropyl)piperazin-1-ium(1+) (CHEBI:64059) is conjugate acid of 3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol (CHEBI:64060)
Incoming Relation(s)
3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol hydrochloride (CHEBI:64057) has part 4-(3-chlorophenyl)-1-(2-hydroxy-3,3-diphenylpropyl)piperazin-1-ium(1+) (CHEBI:64059)
3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol (CHEBI:64060) is conjugate base of 4-(3-chlorophenyl)-1-(2-hydroxy-3,3-diphenylpropyl)piperazin-1-ium(1+) (CHEBI:64059)
IUPAC Name 
4-(3-chlorophenyl)-1-(2-hydroxy-3,3-diphenylpropyl)piperazin-1-ium
Synonyms  Source
4-(3-chlorophenyl)-1-(2-hydroxy-3,3-diphenylpropyl)piperazin-1-ium cationChEBI
BRL 15572 cationChEBI
BRL 15572(1+)ChEBI