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CHEBI:83673 - (S)-isoconazole(1+)

ChEBI IDCHEBI:83673
ChEBI Name(S)-isoconazole(1+)
Stars
ASCII Name(S)-isoconazole(1+)
DefinitionAn organic cation obtained by protonation of the imidazole group of (S)-isoconazole.
Last Modified9 July 2015
SubmitterSteve
DownloadsMolfile
FormulaH.C18H14Cl4N2O
Net Charge+1
Average Mass417.143
Monoisotopic Mass414.99330
SMILESClc1ccc([C@@H](Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1.[H+]
InChIInChI=1S/C18H14Cl4N2O/c19-12-4-5-13(17(22)8-12)18(9-24-7-6-23-11-24)25-10-14-15(20)2-1-3-16(14)21/h1-8,11,18H,9-10H2/p+1/t18-/m1/s1
InChIKeyMPIPASJGOJYODL-GOSISDBHSA-O
ChEBI Ontology
Outgoing Relation(s)
(S)-isoconazole(1+) (CHEBI:83673) is a organic cation (CHEBI:25697)
(S)-isoconazole(1+) (CHEBI:83673) is conjugate acid of (S)-isoconazole (CHEBI:83668)
(S)-isoconazole(1+) (CHEBI:83673) is enantiomer of (R)-isoconazole(1+) (CHEBI:83674)
Incoming Relation(s)
(S)-isoconazole nitrate (CHEBI:83671) has part (S)-isoconazole(1+) (CHEBI:83673)
(S)-isoconazole (CHEBI:83668) is conjugate base of (S)-isoconazole(1+) (CHEBI:83673)
(R)-isoconazole(1+) (CHEBI:83674) is enantiomer of (S)-isoconazole(1+) (CHEBI:83673)
Synonym  Source
(S)-isoconazole cationChEBI