Structure via PubChem · Public domain (PubChem)
Chemical data
- Formula
- C17H22BrNOS2
- Molecular weight
- 400.4 g/mol
- IUPAC name
- 3-(dithiophen-2-ylmethylidene)-5-methoxy-1,1-dimethylpiperidin-1-ium bromide
- SMILES
- C[N+]1(CC(CC(=C(C2=CC=CS2)C3=CC=CS3)C1)OC)C.[Br-]
- InChIKey
- QTSXMEPZSHLZFF-UHFFFAOYSA-M
- Polar surface area
- 65.7 Ų
- H-bond donors
- 0
- H-bond acceptors
- 4
- Formal charge
- 0
via PubChem
Drug data · ChEMBL
- Max clinical phase
- Phase 2
- Molecule type
- Small molecule
- Indications
- gastrointestinal disease
via ChEMBL · EBI
Wikidata facts
- Subclass of
- chemical compound
- Mass
- 399.033
Show 2 more facts
- chemical formula
- C₁₇H₂₂BrNOS₂
- canonical SMILES
- C[N+]1(CC(CC(=C(C2=CC=CS2)C3=CC=CS3)C1)OC)C.[Br-]
Sources (2)
via Wikidata · CC0
Available in 5 languages
via Wikidata sitelinks · CC0