Basic information
- CAS
26106-14-9- Standard SMILES
C[NH+](C)CCCC1(C(N)=O)SC(C)(C)c2ccccc21.[Cl-]- InChIKey
USEUMOFEFZJRIT-UHFFFAOYSA-N- Molecular formula
- C16H25ClN2OS
- Average molar mass
- 328.9 g/mol
- Monoisotopic mass
- 328.1376123
Names & identifiers
- Preferred name
- LU 5-040 hydrochloride
- IUPAC
- 3-(1-carbamoyl-3,3-dimethyl-2-benzothiophen-1-yl)propyl-dimethylazanium chloride
Names & synonyms
LU 5-040 hydrochloride26106-14-91,3-Dihydro-3,3-dimethyl-1-(3-(dimethylamino)propyl)benzo(c)thiophene-1-carboxamide HClBenzo(c)thiophene-1-carboxamide, 1,3-dihydro-3,3-dimethyl-1-(3-(dimethylamino)propyl)-, hydrochlorideRefChem:351418
Database identifiers
- CAS
26106-14-9- PubChem CID
- 33320
Properties
Computed structural properties
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 369
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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