1,3-Dimethyl-1-[2-(pentanoylsulfanyl)ethyl]piperidin-1-ium iodide
Basic information
- CAS
85109-37-1- Standard SMILES
CCCCC(=O)SCC[N+]1(C)CCCC(C)C1.[I-]- InChIKey
KQIOZDVIWQLXOI-UHFFFAOYSA-M- Molecular formula
- C14H28INOS
- Average molar mass
- 385.35 g/mol
- Monoisotopic mass
- 385.09363
Names & identifiers
- Preferred name
- 1,3-Dimethyl-1-[2-(pentanoylsulfanyl)ethyl]piperidin-1-ium iodide
- IUPAC
- S-[2-(1,3-dimethylpiperidin-1-ium-1-yl)ethyl] pentanethioate iodide
Names & synonyms
85109-37-1DTXSID408338391,3-DIMETHYL-1-[2-(PENTANOYLSULFANYL)ETHYL]PIPERIDIN-1-IUM IODIDE
Database identifiers
- CAS
85109-37-1- PubChem CID
- 71414366
- DTXSID
DTXSID40833839
Properties
Computed structural properties
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 244
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Compound notes
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