Basic information
- CAS
7356-92-5- Standard SMILES
CCCCCCCCCCCCCCCC[N+]1(CCCC)CC2CCCCC2C1.[I-]- InChIKey
YYXQMXSERSXSCX-UHFFFAOYSA-M- Molecular formula
- C28H56IN
- Average molar mass
- 533.7 g/mol
- Monoisotopic mass
- 533.34575
Names & identifiers
- Preferred name
- 2-Butyl-2-hexadecyloctahydro-1H-isoindol-2-ium iodide
- IUPAC
- 2-butyl-2-hexadecyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-ium iodide
Names & synonyms
7356-92-5DTXSID40637273NSC55239NSC-55239DS-0130882-Butyl-2-hexadecyloctahydro-1H-isoindol-2-ium iodide2-Butyl-2-hexadecyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
Database identifiers
- CAS
7356-92-5- PubChem CID
- 24186830
- DTXSID
DTXSID40637273
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 18
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 363
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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