Basic information
- CAS
37637-72-2- Standard SMILES
CC[N+](C)(CC)CCC(=O)OCC[N+](C)(C)C.[I-].[I-]- InChIKey
MTYZOLJPVGVHRL-UHFFFAOYSA-L- Molecular formula
- C13H30I2N2O2
- Average molar mass
- 500.2 g/mol
- Monoisotopic mass
- 500.03967
Names & identifiers
- Preferred name
- Ammonium, (2-carboxyethyl)diethylmethyl-, iodide, ester with choline iodide
- IUPAC
- diethyl-methyl-[3-oxo-3-[2-(trimethylazaniumyl)ethoxy]propyl]azanium diiodide
Names & synonyms
37637-72-22-Trimethylammonioethyl 3-(diethylmethylammonio)propionate diiodide(2-Carboxyethyl)diethylmethylammonium iodide ester with choline iodideCholine, iodide, ester with (2-carboxyethyl)diethylmethylammonium iodideAMMONIUM, (2-CARBOXYETHYL)DIETHYLMETHYL-, IODIDE, ESTER with CHOLINE IODIDE1-Propanaminium, N,N-diethyl-N-methyl-3-oxo-3-(2-(trimethylammonio)ethoxy)-, diiodideRefChem:318781DTXSID30958686N,N-Diethyl-N-methyl-3-oxo-3-[2-(trimethylazaniumyl)ethoxy]propan-1-aminium diiodide
Database identifiers
- CAS
37637-72-2- PubChem CID
- 37797
- DTXSID
DTXSID30958686
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 230
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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