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CHEBI:64113 - GR 127935(1+)

ChEBI IDCHEBI:64113
ChEBI NameGR 127935(1+)
Stars
DefinitionAn organic cation obtained via selective monoprotonation of the piperazine ring of GR 127935.
Last Modified7 March 2012
SubmitterSteve
DownloadsMolfile
FormulaC29H32N5O3
Net Charge+1
Average Mass498.607
Monoisotopic Mass498.24997
SMILESCOc1ccc(NC(=O)c2ccc(-c3ccc(-c4noc(C)n4)cc3C)cc2)cc1N1CC[NH+](C)CC1
InChIInChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35)/p+1
InChIKeyYDBCEBYHYKAFRX-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
GR 127935(1+) (CHEBI:64113) is a ammonium ion derivative (CHEBI:35274)
GR 127935(1+) (CHEBI:64113) is a organic cation (CHEBI:25697)
GR 127935(1+) (CHEBI:64113) is conjugate acid of GR 127935 (CHEBI:64114)
Incoming Relation(s)
GR 127935 hydrochloride (CHEBI:64111) has part GR 127935(1+) (CHEBI:64113)
GR 127935 (CHEBI:64114) is conjugate base of GR 127935(1+) (CHEBI:64113)
IUPAC Name 
4-[2-methoxy-5-({[2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]carbonyl}amino)phenyl]-1-methylpiperazin-1-ium
Synonyms  Source
GR127935 cationChEBI
GR 127935 cationChEBI
GR127935(1+)ChEBI