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CHEBI:61263 - butoconazole(1+)

ChEBI IDCHEBI:61263
ChEBI Namebutoconazole(1+)
Stars
DefinitionThe cation resulting from the protonation of the imidazole group of butaconazole.
Last Modified7 February 2011
SubmitterGareth Owen
DownloadsMolfile
FormulaH.C19H17Cl3N2S
Net Charge+1
Average Mass412.793
Monoisotopic Mass411.02508
SMILESClc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1.[H+]
InChIInChI=1S/C19H17Cl3N2S/c20-15-7-4-14(5-8-15)6-9-16(12-24-11-10-23-13-24)25-19-17(21)2-1-3-18(19)22/h1-5,7-8,10-11,13,16H,6,9,12H2/p+1
InChIKeySWLMUYACZKCSHZ-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
butoconazole(1+) (CHEBI:61263) is a cation (CHEBI:36916)
butoconazole(1+) (CHEBI:61263) is conjugate acid of butoconazole (CHEBI:3240)
Incoming Relation(s)
butoconazole nitrate (CHEBI:3241) has part butoconazole(1+) (CHEBI:61263)
butoconazole (CHEBI:3240) is conjugate base of butoconazole(1+) (CHEBI:61263)
Synonym  Source
butoconazole cationChEBI