Basic information
- CAS
22041-28-7- Standard SMILES
COC(=O)C[N+]1(C)CCCC1.[I-]- InChIKey
PBZWHSUXUMZGFA-UHFFFAOYSA-M- Molecular formula
- C8H16INO2
- Average molar mass
- 285.12 g/mol
- Monoisotopic mass
- 285.02258
Names & identifiers
- Preferred name
- 1-(2-Methoxy-2-oxoethyl)-1-methylpyrrolidin-1-ium iodide
- IUPAC
- methyl 2-(1-methylpyrrolidin-1-ium-1-yl)acetate iodide
Names & synonyms
22041-28-7DTXSID509446471-(2-METHOXY-2-OXOETHYL)-1-METHYLPYRROLIDIN-1-IUM IODIDERefChem:1053990DTXCID1013729861-Carboxymethyl-1-methylpyrrolidinium iodide methyl esterPyrrolidinium, 1-carboxymethyl-1-methyl-, iodide, methyl ester
Database identifiers
- CAS
22041-28-7- PubChem CID
- 89168
- DTXSID
DTXSID50944647
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 150
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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