Quinuclidinium, 2-carboxy-1-methyl-, iodide, ester with (2-hydroxy-2-methylethyl)trimethylammonium iodide
Basic information
- CAS
15623-84-4- Standard SMILES
CC(C[N+](C)(C)C)OC(=O)C1CC2CC[N+]1(C)CC2.[I-].[I-]- InChIKey
JBLYKTBKSVPTJV-UHFFFAOYSA-L- Molecular formula
- C15H30I2N2O2
- Average molar mass
- 524.22 g/mol
- Monoisotopic mass
- 524.03967
Names & identifiers
- Preferred name
- Quinuclidinium, 2-carboxy-1-methyl-, iodide, ester with (2-hydroxy-2-methylethyl)trimethylammonium iodide
- IUPAC
- trimethyl-[2-(1-methyl-1-azoniabicyclo[2.2.2]octane-2-carbonyl)oxypropyl]azanium diiodide
Names & synonyms
Of-171115623-84-4Quinuclidinium, 2-carboxy-1-methyl-, iodide, ester with (2-hydroxy-2-methylethyl)trimethylammonium iodideRefChem:378953DTXSID209354061-Methyl-2-({[1-(trimethylazaniumyl)propan-2-yl]oxy}carbonyl)-1-azabicyclo[2.2.2]octan-1-ium diiodide
Database identifiers
- CAS
15623-84-4- PubChem CID
- 85886
- DTXSID
DTXSID20935406
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 341
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Compound notes
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