Isoindolinium, hexahydro-2-(2-(diethylmethylammonio)ethyl)-2-methyl-, diiodide
Basic information
- CAS
73826-53-6- Standard SMILES
CC[N+](C)(CC)CC[N+]1(C)CC2CCCCC2C1.[I-].[I-]- InChIKey
RMSMATYJKXEQST-UHFFFAOYSA-L- Molecular formula
- C16H34I2N2
- Average molar mass
- 508.26 g/mol
- Monoisotopic mass
- 508.08114
Names & identifiers
- Preferred name
- Isoindolinium, hexahydro-2-(2-(diethylmethylammonio)ethyl)-2-methyl-, diiodide
- IUPAC
- diethyl-methyl-[2-(2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-ium-2-yl)ethyl]azanium diiodide
Names & synonyms
73826-53-62-(2-(Diethylmethylammonium)ethyl)-2-methylhexahydroisoindolinium diiodideISOINDOLINIUM, HEXAHYDRO-2-(2-(DIETHYLMETHYLAMMONIO)ETHYL)-2-METHYL-, DIIODIDE8-(Diethylmethylammoniumethyl)-8-methyl-8-azoniumbicyclo-(4.3.0)nonane diiodideRefChem:349616DTXSID509949402-{2-[Diethyl(methyl)azaniumyl]ethyl}-2-methyloctahydro-1H-isoindol-2-ium diiodide
Database identifiers
- CAS
73826-53-6- PubChem CID
- 52624
- DTXSID
DTXSID50994940
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 256
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…