Pyridinium, 1-(p-cyclopentyl-beta-(octyloxy)phenethyl)-, bromide
Basic information
- CAS
17751-78-9- Standard SMILES
CCCCCCCCOC(C[n+]1ccccc1)c1ccc(C2CCCC2)cc1.[Br-]- InChIKey
KAASFUUUXLRPQP-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-(octyloxy)phenethyl)-, bromide
- IUPAC
- 1-[2-(4-cyclopentylphenyl)-2-octoxyethyl]pyridin-1-ium bromide
Names & synonyms
1-(p-Cyclopentyl-beta-(octyloxy)phenethyl)pyridinium bromide17751-78-9Pyridinium, 1-(p-cyclopentyl-beta-(octyloxy)phenethyl)-, bromideRefChem:377034DTXSID609389511-[2-(4-CYCLOPENTYLPHENYL)-2-(OCTYLOXY)ETHYL]PYRIDIN-1-IUM BROMIDE
Database identifiers
- CAS
17751-78-9- PubChem CID
- 205304
- DTXSID
DTXSID60938951
Properties
Computed structural properties
- Topological polar surface area
- 13.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 378
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…