Basic information
- CAS
16780-14-6- Standard SMILES
CCOc1ccc(C(=S)OCC[NH+]2CCCCC2)cc1.[Cl-]- InChIKey
WTMBCTFOGOHGDR-UHFFFAOYSA-N- Molecular formula
- C16H24ClNO2S
- Average molar mass
- 329.9 g/mol
- Monoisotopic mass
- 329.1216279
Names & identifiers
- Preferred name
- Benzoic acid, p-ethoxythio-, O-2-piperidinoethyl ester, hydrochloride
- IUPAC
- O-(2-piperidin-1-ium-1-ylethyl) 4-ethoxybenzenecarbothioate chloride
Names & synonyms
p-Ethoxythiobenzoic acid O-2-piperidinoethyl ester hydrochlorideBENZOIC ACID, p-ETHOXYTHIO-, O-2-PIPERIDINOETHYL ESTER, HYDROCHLORIDE16780-14-6RefChem:327940
Database identifiers
- CAS
16780-14-6- PubChem CID
- 28064
Properties
Computed structural properties
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 284
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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