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CHEBI:189476 - (3r,4s,6r)-n-(2-methoxybenzyl)-6-{[4-(2-pyridinyl)-1h-1,2,3-triazol-1-yl]methyl}quinuclidine-3-carboxamide

ChEBI IDCHEBI:189476
ChEBI Name(3r,4s,6r)-n-(2-methoxybenzyl)-6-{[4-(2-pyridinyl)-1h-1,2,3-triazol-1-yl]methyl}quinuclidine-3-carboxamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H28N6O2
Net Charge0
Average Mass432.528
Monoisotopic Mass432.22737
SMILES[H][C@@]12CCN(C[C@@H]1C(=O)NCc1ccccc1OC)[C@@H](Cn1cc(-c3ccccn3)nn1)C2
InChIInChI=1S/C24H28N6O2/c1-32-23-8-3-2-6-18(23)13-26-24(31)20-15-29-11-9-17(20)12-19(29)14-30-16-22(27-28-30)21-7-4-5-10-25-21/h2-8,10,16-17,19-20H,9,11-15H2,1H3,(H,26,31)/t17-,19+,20-/m0/s1
InChIKeyDCIGRLJGOXTKHV-SXLOBPIMSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) leaf sheath (BTO:0005094) MetaboLights (MTBLS3518)
ChEBI Ontology
Outgoing Relation(s)
(3r,4s,6r)-n-(2-methoxybenzyl)-6-{[4-(2-pyridinyl)-1h-1,2,3-triazol-1-yl]methyl}quinuclidine-3-carboxamide (CHEBI:189476) is a triazoles (CHEBI:35727)
IUPAC Name 
(3R,4S,6R)-N-[(2-methoxyphenyl)methyl]-6-[(4-pyridin-2-yltriazol-1-yl)methyl]-1-azabicyclo[2.2.2]octane-3-carboxamide
Manual XrefsDatabases
29856805ChemSpider