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CHEBI:83698 - (S)-sertaconazole(1+)

ChEBI IDCHEBI:83698
ChEBI Name(S)-sertaconazole(1+)
Stars
ASCII Name(S)-sertaconazole(1+)
DefinitionAn organic cation obtained by protonation of the imidazole group of (S)-sertaconazole
Last Modified11 November 2014
SubmitterSteve
DownloadsMolfile
FormulaH.C20H15Cl3N2OS
Net Charge+1
Average Mass438.787
Monoisotopic Mass437.00434
SMILESClc1ccc([C@@H](Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1.[H+]
InChIInChI=1S/C20H15Cl3N2OS/c21-14-4-5-16(18(23)8-14)19(9-25-7-6-24-12-25)26-10-13-11-27-20-15(13)2-1-3-17(20)22/h1-8,11-12,19H,9-10H2/p+1/t19-/m1/s1
InChIKeyJLGKQTAYUIMGRK-LJQANCHMSA-O
ChEBI Ontology
Outgoing Relation(s)
(S)-sertaconazole(1+) (CHEBI:83698) is a organic cation (CHEBI:25697)
(S)-sertaconazole(1+) (CHEBI:83698) is conjugate acid of (S)-sertaconazole (CHEBI:83684)
(S)-sertaconazole(1+) (CHEBI:83698) is enantiomer of arasertaconazole(1+) (CHEBI:83699)
Incoming Relation(s)
(S)-sertaconazole nitrate (CHEBI:83691) has part (S)-sertaconazole(1+) (CHEBI:83698)
(S)-sertaconazole (CHEBI:83684) is conjugate base of (S)-sertaconazole(1+) (CHEBI:83698)
arasertaconazole(1+) (CHEBI:83699) is enantiomer of (S)-sertaconazole(1+) (CHEBI:83698)
Synonym  Source
(S)-sertaconazole cationChEBI