Basic information
- Standard SMILES
Cl.OC1CCN(CCOCCc2cccc3sccc23)C1- InChIKey
OTHCGDIQWHPYDN-UHFFFAOYSA-N- Molecular formula
- C16H22ClNO2S
- Average molar mass
- 327.9 g/mol
Names & identifiers
- Preferred name
- 1-(2-(2-(1-Benzothiophene-4-yl)ethoxy)ethyl)-3-pyrrolidinol hydrochloride
- IUPAC
- 1-[2-[2-(1-benzothiophen-4-yl)ethoxy]ethyl]pyrrolidin-3-ol;hydrochloride
Names & synonyms
SCHEMBL48028OTHCGDIQWHPYDN-UHFFFAOYSA-N1-(2-(2-(1-benzothiophene-4-yl)ethoxy)ethyl)-3-pyrrolidinol hydrochloride1-{2-[2-(1-benzothiophen-4-yl)ethoxy]ethyl}-3-pyrrolidinol hydrochloride
Database identifiers
- PubChem CID
- 21990179
Properties
Computed structural properties
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 302
Related reactions
5 records
Linked notes
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