Basic information
- CAS
7347-89-9- Standard SMILES
CC(COc1ccccc1Cc1ccccc1)[N+]1(C)CCCC1.[I-]- InChIKey
OJSQKXOXMSXVLR-UHFFFAOYSA-M- Molecular formula
- C21H28INO
- Average molar mass
- 437.4 g/mol
- Monoisotopic mass
- 437.12156
Names & identifiers
- Preferred name
- Pyrrolidinium, 1-(1-((2-benzylphenoxy)methyl)ethyl)-1-methyl-, iodide
- IUPAC
- 1-[1-(2-benzylphenoxy)propan-2-yl]-1-methylpyrrolidin-1-ium iodide
Names & synonyms
1-(1-((2-Benzylphenoxy)methyl)ethyl)-1-methylpyrrolidinium iodide7347-89-9Pyrrolidinium, 1-(1-((2-benzylphenoxy)methyl)ethyl)-1-methyl-, iodideRefChem:378126DTXSID309942261-[1-(2-benzylphenoxy)propan-2-yl]-1-methylpyrrolidin-1-ium iodide
Database identifiers
- CAS
7347-89-9- PubChem CID
- 202029
- DTXSID
DTXSID30994226
Properties
Computed structural properties
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 344
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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