Ammonium, (m-phenylenebis(oxy(2-hydroxytrimethylene)))bis(diethylmethyl-, diiodide

HCID 58730

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Basic information

CAS: 101675-83-6
Standard SMILES: CC[N+](C)(CC)CC(O)COc1cccc(OCC(O)C[N+](C)(CC)CC)c1.[I-].[I-]
InChIKey: FTHIASFDNAQNSG-UHFFFAOYSA-L
Molecular formula: C22H42I2N2O4
Average molar mass: 652.4 g/mol
Monoisotopic mass: 652.1234

Names & identifiers

Preferred name: Ammonium, (m-phenylenebis(oxy(2-hydroxytrimethylene)))bis(diethylmethyl-, diiodide
IUPAC: [3-[3-[3-[diethyl(methyl)azaniumyl]-2-hydroxypropoxy]phenoxy]-2-hydroxypropyl]-diethyl-methylazanium diiodide

Names & synonyms

Ammonium, (m-phenylenebis(oxy(2-hydroxytrimethylene)))bis(diethylmethyl-, diiodide101675-83-6(m-Phenylenebis(oxy(2-hydroxytrimethylene)))bis(diethylmethylammonium iodide)RefChem:319026DTXSID609064783,3'-[1,3-Phenylenebis(oxy)]bis(N,N-diethyl-2-hydroxy-N-methylpropan-1-aminium) diiodide

Database identifiers

CAS: 101675-83-6
PubChem CID: 58730
DTXSID: DTXSID60906478

Properties

Computed structural properties

Topological polar surface area: 58.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 14
Heavy atoms: 30
Formal charge: 0
Complexity: 377

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