Choline, iodide, maleate (2:1)
Basic information
- CAS
28173-47-9- Standard SMILES
C[N+](C)(C)CCOC(=O)/C=C\C(=O)OCC[N+](C)(C)C.[I-].[I-]- InChIKey
UCTSUCNPHOPEPQ-OTMFCZTRSA-L- Molecular formula
- C14H28I2N2O4
- Average molar mass
- 542.19 g/mol
- Monoisotopic mass
- 542.01385
Names & identifiers
- Preferred name
- Choline, iodide, maleate (2:1)
- IUPAC
- trimethyl-[2-[(Z)-4-oxo-4-[2-(trimethylazaniumyl)ethoxy]but-2-enoyl]oxyethyl]azanium diiodide
- English name
- trimethyl-[2-[(Z)-3-(2-trimethylammonioethoxycarbonyl)prop-2-enoyl]oxy ethyl]azanium diiodide
- Molecular formula
- C14H28I2N2O4
- Molecular weight
- 0
Names & synonyms
Choline, iodide, maleate (2:1)28173-47-9RefChem:1081493(2-Hydroxyethyl)trimethylammonium iodide maleate (2:1)Ammonium, (2-hydroxyethyl)trimethyl-, iodide, maleate (2:1)AKOS003919480trimethyl-[2-[(Z)-3-(2-trimethylammonioethoxycarbonyl)prop-2-enoyl]oxy ethyl]azanium diiodide
Database identifiers
- CAS
28173-47-9- PubChem CID
- 6444882
Properties
Computed structural properties
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 317
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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