Basic information
- CAS
26106-16-1- Standard SMILES
CCOC(=O)C1(CCC[NH+](C)C)SC(C)(C)c2ccccc21.[Cl-]- InChIKey
CDCQMRSEXDFGDX-UHFFFAOYSA-N- Molecular formula
- C18H28ClNO2S
- Average molar mass
- 357.9 g/mol
- Monoisotopic mass
- 357.152928
Names & identifiers
- Preferred name
- LU 5-042 hydrochloride
- IUPAC
- 3-(1-ethoxycarbonyl-3,3-dimethyl-2-benzothiophen-1-yl)propyl-dimethylazanium chloride
Names & synonyms
LU 5-042 hydrochloride26106-16-1Benzo(c)thiophene-1-carboxylic acid, 1,3-dihydro-3,3-dimethyl-1-(3-(dimethylamino)propyl)-, ethyl ester, hydrochlorideRefChem:351419
Database identifiers
- CAS
26106-16-1- PubChem CID
- 33322
Properties
Computed structural properties
- Topological polar surface area
- 56 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 397
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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