1-Butanol, 1,1-di(thien-3-yl)-3-pyrrolidino-, methiodide
Basic information
- CAS
17532-09-1- Standard SMILES
CC(CC(O)(c1ccsc1)c1ccsc1)[N+]1(C)CCCC1.[I-]- InChIKey
KLLGEGRKUAZYSJ-UHFFFAOYSA-M- Molecular formula
- C17H24INOS2
- Average molar mass
- 449.4 g/mol
- Monoisotopic mass
- 449.0344
Names & identifiers
- Preferred name
- 1-Butanol, 1,1-di(thien-3-yl)-3-pyrrolidino-, methiodide
- IUPAC
- 3-(1-methylpyrrolidin-1-ium-1-yl)-1,1-di(thiophen-3-yl)butan-1-ol iodide
Names & synonyms
1,1-Di(thien-3-yl)-3-pyrrolidinyl-1-butanol methiodide17532-09-11-BUTANOL, 1,1-DI(THIEN-3-YL)-3-PYRROLIDINO-, METHIODIDERefChem:228786DTXSID609386531-[4-Hydroxy-4,4-di(thiophen-3-yl)butan-2-yl]-1-methylpyrrolidin-1-ium iodide
Database identifiers
- CAS
17532-09-1- PubChem CID
- 28585
- DTXSID
DTXSID60938653
Properties
Computed structural properties
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 341
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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