Piperidinium, 1-(2-(1,4-benzodioxan-5-yloxy)ethyl)-1-methyl-, iodide
Basic information
- CAS
2990-38-7- Standard SMILES
C[N+]1(CCOc2cccc3c2OCCO3)CCCCC1.[I-]- InChIKey
VPOLUBVCIUAWON-UHFFFAOYSA-M- Molecular formula
- C16H24INO3
- Average molar mass
- 405.27 g/mol
- Monoisotopic mass
- 405.08009
Names & identifiers
- Preferred name
- Piperidinium, 1-(2-(1,4-benzodioxan-5-yloxy)ethyl)-1-methyl-, iodide
- IUPAC
- 1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]-1-methylpiperidin-1-ium iodide
Names & synonyms
1-(2-(1,4-Benzodioxan-5-yloxy)ethyl)-1-methylpiperidinium iodide2990-38-7Piperidinium, 1-(2-(1,4-benzodioxan-5-yloxy)ethyl)-1-methyl-, iodideRefChem:373394DTXSID009523531-{2-[(2,3-Dihydro-1,4-benzodioxin-5-yl)oxy]ethyl}-1-methylpiperidin-1-ium iodide
Database identifiers
- CAS
2990-38-7- PubChem CID
- 200969
- DTXSID
DTXSID00952353
Properties
Computed structural properties
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 304
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Related reactions
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Compound notes
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