CHEBI:64113 - GR 127935(1+)

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ChEBI Name GR 127935(1+)
ChEBI ID CHEBI:64113
Definition An organic cation obtained via selective monoprotonation of the piperazine ring of GR 127935.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C29H32N5O3
Net Charge +1
Average Mass 498.59610
Monoisotopic Mass 498.24997
InChI InChI=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
InChIKey YDBCEBYHYKAFRX-UHFFFAOYSA-O
SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CC[NH+](C)CC1
ChEBI Ontology
Outgoing 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 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 Sources
GR 127935 cation ChEBI
GR127935 cation ChEBI
GR127935(1+) ChEBI
Last Modified
07 March 2012