Basic information
- CAS
22041-29-8- Standard SMILES
CCOC(=O)C[N+]1(C)CCCC1.[I-]- InChIKey
KUNOADATOCMLKX-UHFFFAOYSA-M- Molecular formula
- C9H18INO2
- Average molar mass
- 299.15 g/mol
- Monoisotopic mass
- 299.03823
Names & identifiers
- Preferred name
- 1-(2-Ethoxy-2-oxoethyl)-1-methylpyrrolidin-1-ium iodide
- IUPAC
- ethyl 2-(1-methylpyrrolidin-1-ium-1-yl)acetate iodide
Names & synonyms
DTXSID1094464822041-29-81-(2-ETHOXY-2-OXOETHYL)-1-METHYLPYRROLIDIN-1-IUM IODIDERefChem:1053968DTXCID8013729871-Carboxymethyl-1-methylpyrrolidinium iodide ethyl esterPyrrolidinium, 1-carboxymethyl-1-methyl-, iodide, ethyl ester
Database identifiers
- CAS
22041-29-8- PubChem CID
- 89170
- DTXSID
DTXSID10944648
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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