Pyridinium, 3-carboxy-1-methyl-, iodide, ester with choline iodide
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Basic information
- CAS
108847-17-2- Standard SMILES
C[n+]1cccc(C(=O)OCC[N+](C)(C)C)c1.[I-].[I-]- InChIKey
YUYNXVIZIZJRRU-UHFFFAOYSA-L- Molecular formula
- C12H20I2N2O2
- Average molar mass
- 478.11 g/mol
- Monoisotopic mass
- 477.96142
Names & identifiers
- Preferred name
- Pyridinium, 3-carboxy-1-methyl-, iodide, ester with choline iodide
- IUPAC
- trimethyl-[2-(1-methylpyridin-1-ium-3-carbonyl)oxyethyl]azanium diiodide
- English name
- trimethyl-[2-(1-methylpyridine-5-carbonyl)oxyethyl]azanium diiodide
- Molecular formula
- C12H20I2N2O2
- Molecular weight
- 0
Names & synonyms
108847-17-23-Carboxy-1-methylpyridinium iodide ester with choline iodidePyridinium, 3-carboxy-1-methyl-, iodide, ester with choline iodideRefChem:377181trimethyl-[2-(1-methylpyridin-1-ium-3-carbonyl)oxyethyl]azanium;diiodideDTXSID30910885trimethyl-[2-(1-methylpyridine-5-carbonyl)oxyethyl]azanium diiodide1-Methyl-3-{[2-(trimethylazaniumyl)ethoxy]carbonyl}pyridin-1-ium diiodidetrimethyl-[2-(1-methylpyridin-1-ium-3-carbonyl)oxyethyl]azanium
Database identifiers
- CAS
108847-17-2- PubChem CID
- 3065784
- DTXSID
DTXSID30910885
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 236
Related reactions
0 records
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Compound notes
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