Basic information
- CAS
22041-31-2- Standard SMILES
COC(=O)CC[N+]1(C)CCCC1.[I-]- InChIKey
CRIVZCWQXMNFTO-UHFFFAOYSA-M- Molecular formula
- C9H18INO2
- Average molar mass
- 299.15 g/mol
- Monoisotopic mass
- 299.03823
Names & identifiers
- Preferred name
- 1-(3-Methoxy-3-oxopropyl)-1-methylpyrrolidin-1-ium iodide
- IUPAC
- methyl 3-(1-methylpyrrolidin-1-ium-1-yl)propanoate iodide
Names & synonyms
22041-31-2DTXSID709446491-(3-METHOXY-3-OXOPROPYL)-1-METHYLPYRROLIDIN-1-IUM IODIDERefChem:1054202DTXCID5013729881-(2-Carboxyethyl)-1-methylpyrrolidinium iodide methyl esterPyrrolidinium, 1-(2-carboxyethyl)-1-methyl-, iodide, methyl ester
Database identifiers
- CAS
22041-31-2- PubChem CID
- 89172
- DTXSID
DTXSID70944649
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 162
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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