Basic information
- CAS
17751-71-2- Standard SMILES
CCCCC(CC)COC(C[n+]1ccccc1)c1ccc(C2CCCCC2)cc1.[Br-]- InChIKey
RUDINGFAKCICMV-UHFFFAOYSA-M- Molecular formula
- C27H40BrNO
- Average molar mass
- 474.5 g/mol
- Monoisotopic mass
- 473.22933
Names & identifiers
- Preferred name
- Pyridinium, 1-(p-cyclohexyl-beta-((2-ethylhexyl)oxy)phenethyl)-, bromide
- IUPAC
- 1-[2-(4-cyclohexylphenyl)-2-(2-ethylhexoxy)ethyl]pyridin-1-ium bromide
Names & synonyms
1-(p-Cyclohexyl-beta-((2-ethylhexyl)oxy)phenethyl)pyridinium bromide17751-71-2Pyridinium, 1-(p-cyclohexyl-beta-((2-ethylhexyl)oxy)phenethyl)-, bromideRefChem:377029DTXSID909389441-{2-(4-Cyclohexylphenyl)-2-[(2-ethylhexyl)oxy]ethyl}pyridin-1-ium bromide
Database identifiers
- CAS
17751-71-2- PubChem CID
- 205290
- DTXSID
DTXSID90938944
Properties
Computed structural properties
- Topological polar surface area
- 13.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 405
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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