Piperidinium, 1-(1-((2-benzylphenoxy)methyl)ethyl)-1-ethyl-, iodide
Basic information
- CAS
7347-90-2- Standard SMILES
CC[N+]1(C(C)COc2ccccc2Cc2ccccc2)CCCCC1.[I-]- InChIKey
JMUBJRZYTAHPSE-UHFFFAOYSA-M- Molecular formula
- C23H32INO
- Average molar mass
- 465.4 g/mol
- Monoisotopic mass
- 465.15286
Names & identifiers
- Preferred name
- Piperidinium, 1-(1-((2-benzylphenoxy)methyl)ethyl)-1-ethyl-, iodide
- IUPAC
- 1-[1-(2-benzylphenoxy)propan-2-yl]-1-ethylpiperidin-1-ium iodide
Names & synonyms
1-(1-((2-Benzylphenoxy)methyl)ethyl)-1-ethylpiperidinium iodide7347-90-2Piperidinium, 1-(1-((2-benzylphenoxy)methyl)ethyl)-1-ethyl-, iodideRefChem:373386DTXSID909942271-[1-(2-benzylphenoxy)propan-2-yl]-1-ethylpiperidin-1-ium iodide
Database identifiers
- CAS
7347-90-2- PubChem CID
- 202031
- DTXSID
DTXSID90994227
Properties
Computed structural properties
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 370
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Compound notes
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