Isoxazolidinium, 2,2'-hexamethylenebis(2-(2-chloroethyl)-, diiodide

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Basic information

CAS: 97755-90-3
Standard SMILES: ClCC[N+]1(CCCCCC[N+]2(CCCl)CCCO2)CCCO1.[I-].[I-]
InChIKey: DGVJKVDTTJWRQU-UHFFFAOYSA-L
Molecular formula: C16H32Cl2I2N2O2
Average molar mass: 609.1 g/mol
Monoisotopic mass: 607.99303

Names & identifiers

Preferred name: Isoxazolidinium, 2,2'-hexamethylenebis(2-(2-chloroethyl)-, diiodide
IUPAC: 2-(2-chloroethyl)-2-[6-[2-(2-chloroethyl)-1,2-oxazolidin-2-ium-2-yl]hexyl]-1,2-oxazolidin-2-ium diiodide

Names & synonyms

2,2'-Hexamethylenebis(2-(2-chloroethyl)isoxazolidinium) diiodide97755-90-3ISOXAZOLIDINIUM, 2,2'-HEXAMETHYLENEBIS(2-(2-CHLOROETHYL)-, DIIODIDERefChem:3502682-(2-chloroethyl)-2-[6-[2-(2-chloroethyl)-1,2-oxazolidin-2-ium-2-yl]hexyl]-1,2-oxazolidin-2-ium diiodideDTXSID409136652,2'-(Hexane-1,6-diyl)bis[2-(2-chloroethyl)-1,2-oxazolidin-2-ium] diiodide2,2-Hexamethylenebis(2-(2-chloroethyl)isoxazolidinium) diiodide, ISOXAZOLIDINIUM, 2,2-HEXAMETHYLENEBIS(2-(2-CHLOROETHYL)-, DIIODIDE, AC1L1MPO, LS-86755, 2-(2-chloroethyl)-2-[6-[2-(2-chloroethyl)-1,2-oxazolidin-2-ium-2-yl]hexyl]-1,2-oxazolidin-2-ium diiodide, 97755-90-3

Database identifiers

CAS: 97755-90-3
PubChem CID: 57301
DTXSID: DTXSID40913665

Properties

Computed structural properties

Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 11
Heavy atoms: 24
Formal charge: 0
Complexity: 293

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Compound notes

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