Basic information
- Standard SMILES
COc1cccnc1N1CCN(CCC2CSc3ccccc32)CC1.Cl- InChIKey
FMFRKCGTJMVVRL-UHFFFAOYSA-N- Molecular formula
- C20H26ClN3OS
- Average molar mass
- 392 g/mol
- Monoisotopic mass
- 391.1485113
Names & identifiers
- Preferred name
- 1-[2-(2,3-Dihydro-benzo[b]thien-3-yl)ethyl]-4-(3-methoxy-2-pyridinyl)piperazine hydrochloride
- IUPAC
- 1-[2-(2,3-dihydro-1-benzothiophen-3-yl)ethyl]-4-(3-methoxy-2-pyridinyl)piperazine;hydrochloride
Names & synonyms
SCHEMBL8787544FMFRKCGTJMVVRL-UHFFFAOYSA-N1-[2-(2,3-dihydro-benzo[b]thien-3-yl)ethyl]-4-(3-methoxy-2-pyridinyl)piperazine hydrochloride
Database identifiers
- PubChem CID
- 19081466
Properties
Computed structural properties
- Topological polar surface area
- 53.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 416
Related reactions
1 records
Compound notes
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