Basic information
- CAS
89329-38-4- Standard SMILES
CC(=O)SCC[N+]1(C)CCN(C)CC1.[Br-]- InChIKey
LROACRCVHZCGLL-UHFFFAOYSA-M- Molecular formula
- C10H21BrN2OS
- Average molar mass
- 297.26 g/mol
- Monoisotopic mass
- 296.0558
Names & identifiers
- Preferred name
- 1-[2-(Acetylsulfanyl)ethyl]-1,4-dimethylpiperazin-1-ium bromide
- IUPAC
- S-[2-(1,4-dimethylpiperazin-1-ium-1-yl)ethyl] ethanethioate bromide
Names & synonyms
89329-38-4SCHEMBL10737914DTXSID70603507LROACRCVHZCGLL-UHFFFAOYSA-M1-[2-(Acetylsulfanyl)ethyl]-1,4-dimethylpiperazin-1-ium bromide1-(2-acetylthioethyl)-1,4-dimethylpiperazinium bromide
Database identifiers
- CAS
89329-38-4- PubChem CID
- 20203366
- DTXSID
DTXSID70603507
Properties
Computed structural properties
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 200
Related reactions
2 records
Compound notes
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