CHEBI:182032 - Cotarninium

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ChEBI Name Cotarninium
ChEBI ID CHEBI:182032
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H14NO3
Net Charge +1
Average Mass 220.247
Monoisotopic Mass 220.09682
InChI InChI=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
InChIKey KGZAOSLMBZSSTE-UHFFFAOYSA-N
SMILES O1C=2C(OC)=C3C(CC[N+](=C3)C)=CC2OC1
ChEBI Ontology
Outgoing 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 Xref Database
141366 ChemSpider
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Registry Number Type Source
20276-45-3 CAS Registry Number ChemIDplus