Basic information
- CAS
17532-11-5- Standard SMILES
CC(CC(O)(c1ccsc1)c1ccsc1)[NH+]1CCCCC1.[Br-]- InChIKey
HVBLFGYFMBITKR-UHFFFAOYSA-N- Molecular formula
- C17H24BrNOS2
- Average molar mass
- 402.4 g/mol
- Monoisotopic mass
- 401.04827
Names & identifiers
- Preferred name
- 3-(Piperidin-1-yl)-1,1-di(thiophen-3-yl)butan-1-ol--hydrogen bromide (1/1)
- IUPAC
- 3-piperidin-1-ium-1-yl-1,1-di(thiophen-3-yl)butan-1-ol bromide
Names & synonyms
17532-11-5DTXSID209386543-(Piperidin-1-yl)-1,1-di(thiophen-3-yl)butan-1-ol--hydrogen bromide (1/1)RefChem:1067212DTXCID9013671771,1-Di(thien-3-yl)-3-piperidino-1-butanol hydrobromide1-BUTANOL, 1,1-DI(THIEN-3-YL)-3-PIPERIDINO-, HYDROBROMIDE
Database identifiers
- CAS
17532-11-5- PubChem CID
- 28587
Properties
Computed structural properties
- Topological polar surface area
- 81.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 317
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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