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

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ChEBI Name 4-(3-chlorophenyl)-1-(2-hydroxy-3,3-diphenylpropyl)piperazin-1-ium(1+)
ChEBI ID CHEBI:64059
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C25H28ClN2O
Net Charge +1
Average Mass 407.95600
Monoisotopic Mass 407.18847
InChI InChI=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
InChIKey QJHCTHPYUOXOGM-UHFFFAOYSA-O
SMILES OC(C[NH+]1CCN(CC1)c1cccc(Cl)c1)C(c1ccccc1)c1ccccc1
ChEBI Ontology
Outgoing 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 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 Sources
4-(3-chlorophenyl)-1-(2-hydroxy-3,3-diphenylpropyl)piperazin-1-ium cation ChEBI
BRL 15572 cation ChEBI
BRL 15572(1+) ChEBI
Last Modified
01 March 2012