CHEBI:64087 - vanoxerine(2+)

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ChEBI Name vanoxerine(2+)
ChEBI ID CHEBI:64087
Definition A organic cation obtained by protonation of the two tertiary amino functions of vanoxerine
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C28H34F2N2O
Net Charge +2
Average Mass 452.57920
Monoisotopic Mass 452.26282
InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2/p+2
InChIKey NAUWTFJOPJWYOT-UHFFFAOYSA-P
SMILES Fc1ccc(cc1)C(OCC[NH+]1CC[NH+](CCCc2ccccc2)CC1)c1ccc(F)cc1
ChEBI Ontology
Outgoing vanoxerine(2+) (CHEBI:64087) is a ammonium ion derivative (CHEBI:35274)
vanoxerine(2+) (CHEBI:64087) is a organic cation (CHEBI:25697)
vanoxerine(2+) (CHEBI:64087) is conjugate acid of vanoxerine (CHEBI:64089)
Incoming vanoxerine dihydrochloride (CHEBI:64086) has part vanoxerine(2+) (CHEBI:64087)
vanoxerine (CHEBI:64089) is conjugate base of vanoxerine(2+) (CHEBI:64087)
IUPAC Name
1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-phenylpropyl)piperazinediium
Synonyms Sources
GBR 12909 cation ChEBI
GBR 12909(2+) ChEBI
vanoxerine cation ChEBI
vanoxerinium ChEBI
Last Modified
05 March 2012