Basic information
- CAS
66591-55-7- Standard SMILES
CC1CCCC(C)[NH+]1CCCOC(=O)c1ccccc1S.[Cl-]- InChIKey
RAOMCFZAXRPCNG-UHFFFAOYSA-N- Molecular formula
- C17H26ClNO2S
- Average molar mass
- 343.9 g/mol
- Monoisotopic mass
- 343.1372779
Names & identifiers
- Preferred name
- 3-(2,6-Dimethylpiperidin-1-yl)propyl 2-sulfanylbenzoate--hydrogen chloride (1/1)
- IUPAC
- 3-(2,6-dimethylpiperidin-1-ium-1-yl)propyl 2-sulfanylbenzoate chloride
Names & synonyms
66591-55-7DTXSID209851883-(2,6-Dimethylpiperidin-1-yl)propyl 2-sulfanylbenzoate--hydrogen chloride (1/1)RefChem:1066446DTXCID201412387o-Mercaptobenzoic acid 3-(2,6-dimethylpiperidino)propyl ester hydrochlorideBENZOIC ACID, o-MERCAPTO-, 3-(2,6-DIMETHYLPIPERIDINO)PROPYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
66591-55-7- PubChem CID
- 47962
Properties
Computed structural properties
- Topological polar surface area
- 31.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 327
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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