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CHEBI:51856 - methylphenidate(1+)

ChEBI IDCHEBI:51856
ChEBI Namemethylphenidate(1+)
Stars
Last Modified13 January 2015
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC14H20NO2
Net Charge+1
Average Mass234.319
Monoisotopic Mass234.14886
SMILESCOC(=O)C(c1ccccc1)C1CCCC[NH2+]1
InChIInChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/p+1
InChIKeyDUGOZIWVEXMGBE-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
methylphenidate(1+) (CHEBI:51856) is a ammonium ion derivative (CHEBI:35274)
methylphenidate(1+) (CHEBI:51856) is conjugate acid of methylphenidate (CHEBI:6887)
Incoming Relation(s)
methylphenidate hydrochloride (CHEBI:31836) has part methylphenidate(1+) (CHEBI:51856)
methylphenidate (CHEBI:6887) is conjugate base of methylphenidate(1+) (CHEBI:51856)
IUPAC Name 
2-(2-methoxy-2-oxo-1-phenylethyl)piperidinium