Ammonium, bis(2-carboxyethyl)diethyl-, iodide, diester with (2-hydroxyethyl)triethylammonium iodide

HCID 28259

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Basic information

CAS: 17089-56-4
Standard SMILES: CC[N+](CC)(CC)CCOC(=O)CC[N+](CC)(CC)CCC(=O)OCC[N+](CC)(CC)CC.[I-].[I-].[I-]
InChIKey: KGWJRKINOLGQSD-UHFFFAOYSA-K
Molecular formula: C26H56I3N3O4
Average molar mass: 855.5 g/mol
Monoisotopic mass: 855.1405

Names & identifiers

Preferred name: Ammonium, bis(2-carboxyethyl)diethyl-, iodide, diester with (2-hydroxyethyl)triethylammonium iodide
IUPAC: diethyl-bis[3-oxo-3-[2-(triethylazaniumyl)ethoxy]propyl]azanium triiodide

Names & synonyms

(Diethyliminiobis(((ethylenecarbonyl)oxy)ethylene))bis(triethylammonium) triiodide17089-56-4Ammonium, bis(2-carboxyethyl)diethyl-, iodide, diester with (2-hydroxyethyl)triethylammonium iodideRefChem:319184DTXSID30937850N,N-Diethyl-3-oxo-N-{3-oxo-3-[2-(triethylazaniumyl)ethoxy]propyl}-3-[2-(triethylazaniumyl)ethoxy]propan-1-aminium triiodide

Database identifiers

CAS: 17089-56-4
PubChem CID: 28259
DTXSID: DTXSID30937850

Properties

Computed structural properties

Topological polar surface area: 52.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 22
Heavy atoms: 36
Formal charge: 0
Complexity: 481

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