Ethanaminium, 2-(3-(acetyloxy)-1-oxobutoxy)-N,N,N-trimethyl-, iodide

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Basic information

CAS: 73231-74-0
Standard SMILES: CC(=O)OC(C)CC(=O)OCC[N+](C)(C)C.[I-]
InChIKey: RJACPGSFAKKIFX-UHFFFAOYSA-M
Molecular formula: C11H22INO4
Average molar mass: 359.2 g/mol
Monoisotopic mass: 359.05936

Names & identifiers

Preferred name: Ethanaminium, 2-(3-(acetyloxy)-1-oxobutoxy)-N,N,N-trimethyl-, iodide
IUPAC: 2-(3-acetyloxybutanoyloxy)ethyl-trimethylazanium iodide

Names & synonyms

73231-74-02-(3-(Acetyloxy)-1-oxobutoxy)-N,N,N-trimethylethanaminium iodideETHANAMINIUM, 2-(3-(ACETYLOXY)-1-OXOBUTOXY)-N,N,N-TRIMETHYL-, IODIDERefChem:339945DTXSID409939622-{[3-(Acetyloxy)butanoyl]oxy}-N,N,N-trimethylethan-1-aminium iodide

Database identifiers

CAS: 73231-74-0
PubChem CID: 51773
DTXSID: DTXSID40993962

Properties

Computed structural properties

Topological polar surface area: 52.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 17
Formal charge: 0
Complexity: 245

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Compound notes

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