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CHEBI:64092 - 1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazinediium(2+)

ChEBI IDCHEBI:64092
ChEBI Name1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazinediium(2+)
Stars
DefinitionAn organic cation obtained by protonation of the two tertiary amino functions of 1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine.
Last Modified6 March 2012
SubmitterSteve
DownloadsMolfile
FormulaC28H36N2O
Net Charge+2
Average Mass416.609
Monoisotopic Mass416.28167
SMILESc1ccc(CCC[NH+]2CC[NH+](CCOC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C28H34N2O/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,11-12,14-17,28H,10,13,18-24H2/p+2
InChIKeyRAQPOZGWANIDQT-UHFFFAOYSA-P
ChEBI Ontology
Outgoing Relation(s)
1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazinediium(2+) (CHEBI:64092) is a ammonium ion derivative (CHEBI:35274)
1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazinediium(2+) (CHEBI:64092) is a organic cation (CHEBI:25697)
1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazinediium(2+) (CHEBI:64092) is conjugate acid of 1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine (CHEBI:64093)
Incoming Relation(s)
1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine dihydrochloride (CHEBI:64091) has part 1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazinediium(2+) (CHEBI:64092)
1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine (CHEBI:64093) is conjugate base of 1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazinediium(2+) (CHEBI:64092)
IUPAC Name 
1-[2-(diphenylmethoxy)ethyl]-4-(3-phenylpropyl)piperazinediium
Synonyms  Source
GBR 12935 dicationChEBI
GBR 12935(2+)ChEBI