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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:4-(3-chlorophenyl)-1-(2-hydroxy-3,3-diphenylpropyl)piperazin-1-ium(1+)
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Accession:CHEBI:64059 term browser browse the term
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.
Synonyms:exact_synonym: 4-(3-chlorophenyl)-1-(2-hydroxy-3,3-diphenylpropyl)piperazin-1-ium
 related_synonym: 4-(3-chlorophenyl)-1-(2-hydroxy-3,3-diphenylpropyl)piperazin-1-ium cation;   BRL 15572 cation;   BRL 15572(1+);   Formula=C25H28ClN2O;   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
 cyclic_relationship: is_conjugate_acid_of CHEBI:64060


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Term Annotations click to browse term
  CHEBI ontology 19899
    chemical entity 19897
      molecular entity 19897
        ion 17101
          organic ion 11455
            organic cation 8962
              4-(3-chlorophenyl)-1-(2-hydroxy-3,3-diphenylpropyl)piperazin-1-ium(1+) 0
                3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol hydrochloride 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19899
    subatomic particle 19897
      composite particle 19897
        hadron 19897
          baryon 19897
            nucleon 19897
              atomic nucleus 19897
                atom 19897
                  main group element atom 19835
                    main group molecular entity 19835
                      s-block molecular entity 19669
                        hydrogen molecular entity 19651
                          hydrides 19162
                            inorganic hydride 18183
                              pnictogen hydride 18173
                                nitrogen hydride 18086
                                  ammonium 8325
                                    ammonium ion derivative 8320
                                      4-(3-chlorophenyl)-1-(2-hydroxy-3,3-diphenylpropyl)piperazin-1-ium(1+) 0
                                        3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol hydrochloride 0
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