Carnitylcholine
Basic information
- CAS
34566-86-4- Standard SMILES
C[N+](C)(C)CCOC(=O)CC(O)C[N+](C)(C)C.[Cl-].[Cl-]- InChIKey
MESTZMPUVNXFMI-UHFFFAOYSA-L- Molecular formula
- C12H28Cl2N2O3
- Average molar mass
- 319.27 g/mol
- Monoisotopic mass
- 318.1476981
Names & identifiers
- Preferred name
- Carnitylcholine
- IUPAC
- [2-hydroxy-4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butyl]-trimethylazanium dichloride
Names & synonyms
Carnitylcholine34566-86-4RefChem:123779DTXSID80956076[2-hydroxy-4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butyl]-trimethylazanium;dichloride2-Hydroxy-N,N,N-trimethyl-4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butan-1-aminium dichloride1-Butanaminium, 2-hydroxy-N,N,N-trimethyl-4-oxo-4-(2-(trimethylammonio)ethoxy)-, dichloride
Database identifiers
- CAS
34566-86-4- PubChem CID
- 204073
- DTXSID
DTXSID80956076
Properties
Computed structural properties
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 241
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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