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

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ChEBI Name 1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazinediium(2+)
ChEBI ID CHEBI:64092
Definition An organic cation obtained by protonation of the two tertiary amino functions of 1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C28H36N2O
Net Charge +2
Average Mass 416.59820
Monoisotopic Mass 416.28167
InChI InChI=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
InChIKey RAQPOZGWANIDQT-UHFFFAOYSA-P
SMILES C(C[NH+]1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
ChEBI Ontology
Outgoing 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 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 Sources
GBR 12935 dication ChEBI
GBR 12935(2+) ChEBI
Last Modified
06 March 2012