Basic information
- CAS
57554-27-5- Standard SMILES
CC[NH+]1CCCC(OC(=S)C(c2ccccc2)c2ccccc2)C1.[Cl-]- InChIKey
FFWRMEZJTTZGIW-UHFFFAOYSA-N- Molecular formula
- C21H26ClNOS
- Average molar mass
- 376 g/mol
- Monoisotopic mass
- 375.1423633
Names & identifiers
- Preferred name
- O-(1-Ethylpiperidin-3-yl) diphenylethanethioate--hydrogen chloride (1/1)
- IUPAC
- O-(1-ethylpiperidin-1-ium-3-yl) 2,2-diphenylethanethioate chloride
Names & synonyms
57554-27-5DTXSID00973124O-(1-Ethylpiperidin-3-yl) diphenylethanethioate--hydrogen chloride (1/1)RefChem:1093533DTXCID9014005813-Piperidinol, 1-ethyl-, O-ester with diphenylthioacetate, hydrochlorideACETIC ACID, DIPHENYLTHIO-, O-ESTER with 1-ETHYL-3-PIPERIDINOL, HYDROCHLORIDE
Database identifiers
- CAS
57554-27-5- PubChem CID
- 42468
Properties
Computed structural properties
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 369
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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