Pyrrolidinium, 1-(2-(1,4-benzodioxan-5-yloxy)ethyl)-1-methyl-, iodide
Basic information
- CAS
2906-83-4- Standard SMILES
C[N+]1(CCOc2cccc3c2OCCO3)CCCC1.[I-]- InChIKey
JIVLFVOVNOWXKB-UHFFFAOYSA-M- Molecular formula
- C15H22INO3
- Average molar mass
- 391.24 g/mol
- Monoisotopic mass
- 391.06444
Names & identifiers
- Preferred name
- Pyrrolidinium, 1-(2-(1,4-benzodioxan-5-yloxy)ethyl)-1-methyl-, iodide
- IUPAC
- 1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]-1-methylpyrrolidin-1-ium iodide
Names & synonyms
1-(2-(1,4-Benzodioxan-5-yloxy)ethyl)-1-methylpyrrolidinium iodide2906-83-4Pyrrolidinium, 1-(2-(1,4-benzodioxan-5-yloxy)ethyl)-1-methyl-, iodideRefChem:378132DTXSID409516631-{2-[(2,3-Dihydro-1,4-benzodioxin-5-yl)oxy]ethyl}-1-methylpyrrolidin-1-ium iodide
Database identifiers
- CAS
2906-83-4- PubChem CID
- 200894
- DTXSID
DTXSID40951663
Properties
Computed structural properties
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 291
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…