Basic information
- CAS
26106-23-0- Standard SMILES
CC(=O)C1(CCC[NH+](C)C)SC(C)(C)c2ccccc21.[Cl-]- InChIKey
XXASLAXLFRHRCZ-UHFFFAOYSA-N- Molecular formula
- C17H26ClNOS
- Average molar mass
- 327.9 g/mol
- Monoisotopic mass
- 327.1423633
Names & identifiers
- Preferred name
- LU 5-055 hydrochloride
- IUPAC
- 3-(1-acetyl-3,3-dimethyl-2-benzothiophen-1-yl)propyl-dimethylazanium chloride
Names & synonyms
LU 5-055 hydrochloride26106-23-01,3-Dihydro-1-(3-(dimethylamino)propyl)-3,3-dimethylbenzo(c)thien-1-yl methyl ketone HClKetone, 1,3-dihydro-1-(3-(dimethylamino)propyl)-3,3-dimethylbenzo(c)thien-1-yl methyl, hydrochlorideRefChem:3514223-(1-acetyl-3,3-dimethyl-2-benzothiophen-1-yl)propyl-dimethylazanium;chloride
Database identifiers
- CAS
26106-23-0- PubChem CID
- 33328
Properties
Computed structural properties
- Topological polar surface area
- 46.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 366
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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