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CHEBI:32224 - Tiemonium iodide

Default Structure
ChEBI IDCHEBI:32224
ChEBI NameTiemonium iodide
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC18H24NO2S.I
Net Charge0
Average Mass445.366
Monoisotopic Mass445.05725
SMILESC[N+]1(CCC(O)(c2ccccc2)c2cccs2)CCOCC1.[I-]
InChIInChI=1S/C18H24NO2S.HI/c1-19(11-13-21-14-12-19)10-9-18(20,17-8-5-15-22-17)16-6-3-2-4-7-16;/h2-8,15,20H,9-14H2,1H3;1H/q+1;/p-1
InChIKeyIOFXEUZPIIUQAG-UHFFFAOYSA-M
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Tiemonium iodide (CHEBI:32224) is a aralkylamine (CHEBI:18000)
Synonym  Source
Tiemonium iodideKEGG COMPOUND
Manual XrefsDatabases
D01201KEGG DRUG
Registry NumbersSources
CAS:144-12-7KEGG COMPOUND