Basic information
- CAS
17751-70-1- Standard SMILES
CCCCCCc1ccc(C(C[n+]2ccccc2)OCC(CC)CCCC)cc1.[Br-]- InChIKey
ZDWZVXLWOKADFP-UHFFFAOYSA-M- Molecular formula
- C27H42BrNO
- Average molar mass
- 476.5 g/mol
- Monoisotopic mass
- 475.24498
Names & identifiers
- Preferred name
- Pyridinium, 1-(beta-((2-ethylhexyl)oxy)-p-hexylphenethyl)-, bromide
- IUPAC
- 1-[2-(2-ethylhexoxy)-2-(4-hexylphenyl)ethyl]pyridin-1-ium bromide
Names & synonyms
1-(beta-((2-Ethylhexyl)oxy)-p-hexylphenethyl)pyridinium bromide17751-70-1Pyridinium, 1-(beta-((2-ethylhexyl)oxy)-p-hexylphenethyl)-, bromideRefChem:377017DTXSID309389431-{2-[(2-Ethylhexyl)oxy]-2-(4-hexylphenyl)ethyl}pyridin-1-ium bromide
Database identifiers
- CAS
17751-70-1- PubChem CID
- 205288
- DTXSID
DTXSID30938943
Properties
Computed structural properties
- Topological polar surface area
- 13.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 15
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 371
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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