1-Benzyl-2-(2,2-diphenyl-1,3-dioxolan-4-yl)-1-hydroxypiperidin-1-ium chloride
Basic information
- CAS
66859-42-5- Standard SMILES
O[N+]1(Cc2ccccc2)CCCCC1C1COC(c2ccccc2)(c2ccccc2)O1.[Cl-]- InChIKey
YGGAFIXGHSUQBZ-UHFFFAOYSA-M- Molecular formula
- C27H30ClNO3
- Average molar mass
- 452 g/mol
- Monoisotopic mass
- 451.1914215
Names & identifiers
- Preferred name
- 1-Benzyl-2-(2,2-diphenyl-1,3-dioxolan-4-yl)-1-hydroxypiperidin-1-ium chloride
- IUPAC
- 1-benzyl-2-(2,2-diphenyl-1,3-dioxolan-4-yl)-1-hydroxypiperidin-1-ium chloride
Names & synonyms
66859-42-5DTXSID009854691-benzyl-2-(2,2-diphenyl-1,3-dioxolan-4-yl)-1-hydroxypiperidin-1-ium chlorideRefChem:1054957DTXCID0014126621,3-Dioxolane, 4-(1-benzyl-2-piperidyl)-2,2-diphenyl-, N-oxide, hydrochloride, alpha-alpha-4-(1-Benzyl-2-piperidyl)-2,2-diphenyl-1,3-dioxolane N-oxide hydrochloride
Database identifiers
- CAS
66859-42-5- PubChem CID
- 48180
- DTXSID
DTXSID00985469
Properties
Computed structural properties
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 547
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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