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CHEBI:91191 - GS4012 free base(1+)

ChEBI IDCHEBI:91191
ChEBI NameGS4012 free base(1+)
Stars
DefinitionA pyridinium ion obtained by protonation of the pyridine nitrogen of GS4012 free base.
Last Modified15 February 2016
SubmitterSteve
DownloadsMolfile
FormulaC14H16NOS
Net Charge+1
Average Mass246.355
Monoisotopic Mass246.09471
SMILESCOc1ccc(SCCc2cc[nH+]cc2)cc1
InChIInChI=1S/C14H15NOS/c1-16-13-2-4-14(5-3-13)17-11-8-12-6-9-15-10-7-12/h2-7,9-10H,8,11H2,1H3/p+1
InChIKeyIUWQYMDPRUPDGB-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
GS4012 free base(1+) (CHEBI:91191) is a pyridinium ion (CHEBI:50334)
GS4012 free base(1+) (CHEBI:91191) is conjugate acid of GS4012 free base (CHEBI:91190)
Incoming Relation(s)
GS4012 (CHEBI:91188) has part GS4012 free base(1+) (CHEBI:91191)
GS4012 free base (CHEBI:91190) is conjugate base of GS4012 free base(1+) (CHEBI:91191)
IUPAC Name 
4-{2-[(4-methoxyphenyl)sulfanyl]ethyl}pyridin-1-ium
Synonym  Source
GS4012(1+)ChEBI