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CHEBI:182032 - Cotarninium

ChEBI IDCHEBI:182032
ChEBI NameCotarninium
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H14NO3
Net Charge+1
Average Mass220.248
Monoisotopic Mass220.09682
SMILESCOc1c2c(cc3c1OCO3)CC[N+](C)=C2
InChIInChI=1S/C12H14NO3/c1-13-4-3-8-5-10-12(16-7-15-10)11(14-2)9(8)6-13/h5-6H,3-4,7H2,1-2H3/q+1
InChIKeyKGZAOSLMBZSSTE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Cotarninium (CHEBI:182032) is a isoquinolines (CHEBI:24922)
IUPAC Name 
4-methoxy-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Manual XrefsDatabases
141366ChemSpider
Registry NumbersSources
CAS:20276-45-3ChemIDplus