Piperidinium, 1-((1-(2-benzoylphenoxy)methyl)ethyl)-1-methyl-, iodide
Basic information
- CAS
7347-86-6- Standard SMILES
CC(COc1ccccc1C(=O)c1ccccc1)[N+]1(C)CCCCC1.[I-]- InChIKey
WTUFKPWPOXPMIS-UHFFFAOYSA-M- Molecular formula
- C22H28INO2
- Average molar mass
- 465.4 g/mol
- Monoisotopic mass
- 465.11648
Names & identifiers
- Preferred name
- Piperidinium, 1-((1-(2-benzoylphenoxy)methyl)ethyl)-1-methyl-, iodide
- IUPAC
- [2-[2-(1-methylpiperidin-1-ium-1-yl)propoxy]phenyl]-phenylmethanone iodide
Names & synonyms
2-(2-Piperidinopropoxy)benzophenone methiodide1-((1-(2-Benzoylphenoxy)methyl)ethyl)-1-methylpiperidinium iodide7347-86-6Benzophenone, 2-(2-piperidinopropoxy)-, methiodidePiperidinium, 1-((1-(2-benzoylphenoxy)methyl)ethyl)-1-methyl-, iodideRefChem:373379DTXSID509942231-[1-(2-Benzoylphenoxy)propan-2-yl]-1-methylpiperidin-1-ium iodide
Database identifiers
- CAS
7347-86-6- PubChem CID
- 202027
- DTXSID
DTXSID50994223
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 424
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Compound notes
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