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CHEBI:83843 - (S)-oxpoconazole(1+)

ChEBI IDCHEBI:83843
ChEBI Name(S)-oxpoconazole(1+)
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ASCII Name(S)-oxpoconazole(1+)
DefinitionAn organic cation obtained by protonation of the imidazole group of (S)-oxpoconazole.
Last Modified21 November 2014
SubmitterSteve
DownloadsMolfile
FormulaH.C19H24ClN3O2
Net Charge+1
Average Mass362.881
Monoisotopic Mass362.16298
SMILESCC1(C)CO[C@@](C)(CCCc2ccc(Cl)cc2)N1C(=O)n1ccnc1.[H+]
InChIInChI=1S/C19H24ClN3O2/c1-18(2)13-25-19(3,23(18)17(24)22-12-11-21-14-22)10-4-5-15-6-8-16(20)9-7-15/h6-9,11-12,14H,4-5,10,13H2,1-3H3/p+1/t19-/m0/s1
InChIKeyFJBGIXKIXPUXBY-IBGZPJMESA-O
ChEBI Ontology
Outgoing Relation(s)
(S)-oxpoconazole(1+) (CHEBI:83843) is a organic cation (CHEBI:25697)
(S)-oxpoconazole(1+) (CHEBI:83843) is conjugate acid of (S)-oxpoconazole (CHEBI:83839)
(S)-oxpoconazole(1+) (CHEBI:83843) is enantiomer of (R)-oxpoconazole(1+) (CHEBI:83844)
Incoming Relation(s)
(S)-oxpoconazole fumarate (CHEBI:83841) has part (S)-oxpoconazole(1+) (CHEBI:83843)
(S)-oxpoconazole (CHEBI:83839) is conjugate base of (S)-oxpoconazole(1+) (CHEBI:83843)
(R)-oxpoconazole(1+) (CHEBI:83844) is enantiomer of (S)-oxpoconazole(1+) (CHEBI:83843)