Basic information
- CAS
13435-69-3- Standard SMILES
CC[N+](C)(CC)CCOC(=O)C1C[N+]2(C)CCC1CC2.[I-].[I-]- InChIKey
PFGZYKXIUPPVPI-UHFFFAOYSA-L- Molecular formula
- C16H32I2N2O2
- Average molar mass
- 538.25 g/mol
- Monoisotopic mass
- 538.05532
Names & identifiers
- Preferred name
- Quinuclidinium, 3-carboxy-1-methyl-, iodide, ester with diethyl(2-hydroxyethyl)methylammonium iodide
- IUPAC
- diethyl-methyl-[2-(1-methyl-1-azoniabicyclo[2.2.2]octane-3-carbonyl)oxyethyl]azanium diiodide
Names & synonyms
Of-159113435-69-3Quinuclidinium, 3-carboxy-1-methyl-, iodide, ester with diethyl(2-hydroxyethyl)methylammonium iodideRefChem:378965DTXSID109285843-({2-[Diethyl(methyl)azaniumyl]ethoxy}carbonyl)-1-methyl-1-azabicyclo[2.2.2]octan-1-ium diiodide
Database identifiers
- CAS
13435-69-3- PubChem CID
- 83447
- DTXSID
DTXSID10928584
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 344
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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