Basic information
- CAS
7457-32-1- Standard SMILES
COc1ccc(C2(c3ccc(OC)cc3)OCC(C3CCCC[NH2+]3)O2)cc1.[Cl-]- InChIKey
FXOVQFNCVYXJCR-UHFFFAOYSA-N- Molecular formula
- C22H28ClNO4
- Average molar mass
- 405.9 g/mol
- Monoisotopic mass
- 405.1706861
Names & identifiers
- Preferred name
- 1,3-Dioxolane, 2,2-bis(p-methoxyphenyl)-4-(2-piperidyl)-, hydrochloride, alpha-
- IUPAC
- 2-[2,2-bis(4-methoxyphenyl)-1,3-dioxolan-4-yl]piperidin-1-ium chloride
Names & synonyms
alpha-2,2-Bis(p-methoxyphenyl)-4-(2-piperidyl)-1,3-dioxolane hydrochloride1,3-DIOXOLANE, 2,2-BIS(p-METHOXYPHENYL)-4-(2-PIPERIDYL)-, HYDROCHLORIDE, alpha-7457-32-1RefChem:218910
Database identifiers
- CAS
7457-32-1- PubChem CID
- 24028
Properties
Computed structural properties
- Topological polar surface area
- 53.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 433
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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