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CHEBI:147355 - tilorone(2+)

ChEBI IDCHEBI:147355
ChEBI Nametilorone(2+)
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DefinitionAn ammonium ion derivative resulting from the protonation of the two tertiary amino groups of tilorone.
Last Modified1 April 2020
SubmitterAdnan
DownloadsMolfile
FormulaC25H36N2O3
Net Charge+2
Average Mass412.574
Monoisotopic Mass412.27150
SMILESCC[NH+](CC)CCOc1ccc2c(c1)C(=O)c1cc(OCC[NH+](CC)CC)ccc1-2
InChIInChI=1S/C25H34N2O3/c1-5-26(6-2)13-15-29-19-9-11-21-22-12-10-20(30-16-14-27(7-3)8-4)18-24(22)25(28)23(21)17-19/h9-12,17-18H,5-8,13-16H2,1-4H3/p+2
InChIKeyMPMFCABZENCRHV-UHFFFAOYSA-P
ChEBI Ontology
Outgoing Relation(s)
tilorone(2+) (CHEBI:147355) is a ammonium ion derivative (CHEBI:35274)
tilorone(2+) (CHEBI:147355) is conjugate acid of tilorone (CHEBI:147347)
Incoming Relation(s)
tilorone dihydrochloride (CHEBI:147356) has part tilorone(2+) (CHEBI:147355)
tilorone (CHEBI:147347) is conjugate base of tilorone(2+) (CHEBI:147355)
IUPAC Name 
2,2'-[(9-oxo-9H-fluorene-2,7-diyl)bis(oxy)]bis(N,N-diethylethanaminium)
Synonym  Source
N,N'-[(9-oxo-9H-fluorene-2,7-diyl)bis(oxyethane-2,1-diyl)]bis(N-ethylethan-1-aminium)IUPAC