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CHEBI:68605 - rilpivirine(1+)

ChEBI IDCHEBI:68605
ChEBI Namerilpivirine(1+)
Stars
DefinitionAn organic cation resulting from the addition of a proton to rilpivirine.
Last Modified13 November 2012
SubmitterSteve
DownloadsMolfile
FormulaH.C22H18N6
Net Charge+1
Average Mass367.436
Monoisotopic Mass367.16657
SMILESCc1cc(/C=C/C#N)cc(C)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1.[H+]
InChIInChI=1S/C22H18N6/c1-15-12-18(4-3-10-23)13-16(2)21(15)27-20-9-11-25-22(28-20)26-19-7-5-17(14-24)6-8-19/h3-9,11-13H,1-2H3,(H2,25,26,27,28)/p+1/b4-3+
InChIKeyYIBOMRUWOWDFLG-ONEGZZNKSA-O
ChEBI Ontology
Outgoing Relation(s)
rilpivirine(1+) (CHEBI:68605) is a organic cation (CHEBI:25697)
rilpivirine(1+) (CHEBI:68605) is conjugate acid of rilpivirine (CHEBI:68606)
Incoming Relation(s)
rilpivirine hydrochloride (CHEBI:68602) has part rilpivirine(1+) (CHEBI:68605)
rilpivirine (CHEBI:68606) is conjugate base of rilpivirine(1+) (CHEBI:68605)
Synonym  Source
rilpivirine cationChEBI