Ammonium, ((2-(p-chlorophenyl)-2-hydroxycyclohexyl)methyl)trimethyl-, iodide
Basic information
- CAS
357-78-8- Standard SMILES
C[N+](C)(C)CC1CCCCC1(O)c1ccc(Cl)cc1.[I-]- InChIKey
LXFLBGSSFRFRGI-UHFFFAOYSA-M- Molecular formula
- C16H25ClINO
- Average molar mass
- 409.73 g/mol
- Monoisotopic mass
- 409.06694
Names & identifiers
- Preferred name
- Ammonium, ((2-(p-chlorophenyl)-2-hydroxycyclohexyl)methyl)trimethyl-, iodide
- IUPAC
- [2-(4-chlorophenyl)-2-hydroxycyclohexyl]methyl-trimethylazanium iodide
Names & synonyms
357-78-8((2-(p-Chlorophenyl)-2-hydroxycyclohexyl)methyl)trimethylammonium iodideCyclohexanemethanaminium, 2-(4-chlorophenyl)-2-hydroxy-N,N,N-trimethyl-, iodideAMMONIUM, ((2-(p-CHLOROPHENYL)-2-HYDROXYCYCLOHEXYL)METHYL)TRIMETHYL-, IODIDERefChem:318616DTXSID60957102
Database identifiers
- CAS
357-78-8- PubChem CID
- 9654
- DTXSID
DTXSID60957102
Properties
Computed structural properties
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 294
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Compound notes
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