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CHEBI:141384 - neticonazole(1+)

ChEBI IDCHEBI:141384
ChEBI Nameneticonazole(1+)
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DefinitionAn imidazolium ion resulting from the protonation of the nitrogen at position 3 of the imidazole group of neticonazole.
Last Modified16 July 2018
SubmitterGareth Owen
DownloadsMolfile
FormulaC17H23N2OS
Net Charge+1
Average Mass303.451
Monoisotopic Mass303.15256
SMILESCCCCCOc1ccccc1/C(=C\SC)n1cc[nH+]c1
InChIInChI=1S/C17H22N2OS/c1-3-4-7-12-20-17-9-6-5-8-15(17)16(13-21-2)19-11-10-18-14-19/h5-6,8-11,13-14H,3-4,7,12H2,1-2H3/p+1/b16-13+
InChIKeyVWOIKFDZQQLJBJ-DTQAZKPQSA-O
ChEBI Ontology
Outgoing Relation(s)
neticonazole(1+) (CHEBI:141384) is a imidazolium ion (CHEBI:59964)
neticonazole(1+) (CHEBI:141384) is conjugate acid of neticonazole (CHEBI:135281)
Incoming Relation(s)
neticonazole hydrochloride (CHEBI:31900) has part neticonazole(1+) (CHEBI:141384)
neticonazole (CHEBI:135281) is conjugate base of neticonazole(1+) (CHEBI:141384)
IUPAC Name 
1-{(E)-2-(methylthio)-1-[2-(pentyloxy)phenyl]vinyl}-1H-imidazol-3-ium