Basic information
- CAS
17751-73-4- Standard SMILES
CCCCC(CC)COC(C[n+]1ccccc1)c1ccc(C2CCCC2)cc1.[Br-]- InChIKey
QSCDFQKBLSVNKT-UHFFFAOYSA-M- Molecular formula
- C26H38BrNO
- Average molar mass
- 460.5 g/mol
- Monoisotopic mass
- 459.21368
Names & identifiers
- Preferred name
- Pyridinium, 1-(p-cyclopentyl-beta-((2-ethylhexyl)oxy)phenethyl)-, bromide
- IUPAC
- 1-[2-(4-cyclopentylphenyl)-2-(2-ethylhexoxy)ethyl]pyridin-1-ium bromide
Names & synonyms
1-(p-Cyclopentyl-beta-((2-ethylhexyl)oxy)phenethyl)pyridinium bromide17751-73-4Pyridinium, 1-(p-cyclopentyl-beta-((2-ethylhexyl)oxy)phenethyl)-, bromideRefChem:377033DTXSID109389461-{2-(4-Cyclopentylphenyl)-2-[(2-ethylhexyl)oxy]ethyl}pyridin-1-ium bromide
Database identifiers
- CAS
17751-73-4- PubChem CID
- 205294
- DTXSID
DTXSID10938946
Properties
Computed structural properties
- Topological polar surface area
- 13.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 391
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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