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

HCID 28261

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Basic information

CAS: 17089-58-6
Standard SMILES: CC[N+](C)(CC)CCOC(=O)CC[N+](C)(CC)CCC(=O)OCC[N+](C)(CC)CC.[I-].[I-].[I-]
InChIKey: QYSIQFOWUAUXCQ-UHFFFAOYSA-K
Molecular formula: C23H50I3N3O4
Average molar mass: 813.4 g/mol
Monoisotopic mass: 813.0935

Names & identifiers

Preferred name: Ammonium, bis(2-carboxyethyl)ethylmethyl-, iodide, diester with diethyl(2-hydroxyethyl)methylammonium iodide
IUPAC: bis[3-[2-[diethyl(methyl)azaniumyl]ethoxy]-3-oxopropyl]-ethyl-methylazanium triiodide

Names & synonyms

17089-58-6(Ethylmethyliminiobis(((ethylenecarbonyl)oxy)ethylene))bis(diethylmethylammonium) triiodideAmmonium, bis(2-carboxyethyl)ethylmethyl-, iodide, diester with diethyl(2-hydroxyethyl)methylammonium iodideRefChem:319185DTXSID909378513-{2-[Diethyl(methyl)azaniumyl]ethoxy}-N-(3-{2-[diethyl(methyl)azaniumyl]ethoxy}-3-oxopropyl)-N-ethyl-N-methyl-3-oxopropan-1-aminium triiodide

Database identifiers

CAS: 17089-58-6
PubChem CID: 28261
DTXSID: DTXSID90937851

Properties

Computed structural properties

Topological polar surface area: 52.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 19
Heavy atoms: 33
Formal charge: 0
Complexity: 463

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