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CHEBI:77716 - oxymetazoline(1+)

ChEBI IDCHEBI:77716
ChEBI Nameoxymetazoline(1+)
Stars
DefinitionA carboxamidinium ion resulting from the protonation of the carboxamidine group of oxymetazoline. It is the major species at pH 7.3.
Last Modified17 March 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC16H25N2O
Net Charge+1
Average Mass261.389
Monoisotopic Mass261.19614
SMILESCc1cc(C(C)(C)C)c(O)c(C)c1CC1=[NH+]CCN1
InChIInChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)/p+1
InChIKeyWYWIFABBXFUGLM-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
oxymetazoline(1+) (CHEBI:77716) is a carboxamidinium ion (CHEBI:77718)
oxymetazoline(1+) (CHEBI:77716) is conjugate acid of oxymetazoline (CHEBI:7862)
Incoming Relation(s)
oxymetazoline hydrochloride (CHEBI:7863) has part oxymetazoline(1+) (CHEBI:77716)
oxymetazoline (CHEBI:7862) is conjugate base of oxymetazoline(1+) (CHEBI:77716)
IUPAC Name 
2-(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl)-4,5-dihydro-1H-imidazol-1-ium