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CHEBI:64087 - vanoxerine(2+)

ChEBI IDCHEBI:64087
ChEBI Namevanoxerine(2+)
Stars
DefinitionA organic cation obtained by protonation of the two tertiary amino functions of vanoxerine
Last Modified5 March 2012
SubmitterSteve
DownloadsMolfile
FormulaC28H34F2N2O
Net Charge+2
Average Mass452.589
Monoisotopic Mass452.26282
SMILESFc1ccc(C(OCC[NH+]2CC[NH+](CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1
InChIInChI=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
InChIKeyNAUWTFJOPJWYOT-UHFFFAOYSA-P
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
vanoxerine cationChEBI
vanoxeriniumChEBI
GBR 12909 cationChEBI
GBR 12909(2+)ChEBI