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CHEBI:135447 - penthienate

ChEBI IDCHEBI:135447
ChEBI Namepenthienate
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC18H30NO3S
Net Charge+1
Average Mass340.509
Monoisotopic Mass340.19409
SMILESCC[N+](C)(CC)CCOC(=O)C(O)(c1cccs1)C1CCCC1
InChIInChI=1S/C18H30NO3S/c1-4-19(3,5-2)12-13-22-17(20)18(21,15-9-6-7-10-15)16-11-8-14-23-16/h8,11,14-15,21H,4-7,9-10,12-13H2,1-3H3/q+1
InChIKeyNEMLPWNINZELKP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
penthienate (CHEBI:135447) is a heteroarene (CHEBI:33833)
Synonyms  Source
penthienate bromideDrugCentral
monodralDrugCentral
Manual XrefsDatabases
2093DrugCentral
Registry NumbersSources
CAS:22064-27-3DrugCentral