Basic information
- Standard SMILES
COc1ccc(/C(C#N)=C/c2ccc(N3CCC(O)CC3)s2)cc1OC.Cl- InChIKey
RYPOMMGQWGBHAB-KRWCAOSLSA-N- Molecular formula
- C20H23ClN2O3S
- Average molar mass
- 406.9 g/mol
Names & identifiers
- Preferred name
- (Z)-2-(3,4-dimethoxy-phenyl)-3-[5-(4-hydroxy-piperidin-1-yl)-thiophen-2-yl]-acrylonitrile hydrochloride
- IUPAC
- (Z)-2-(3,4-dimethoxyphenyl)-3-[5-(4-hydroxypiperidin-1-yl)thiophen-2-yl]prop-2-enenitrile;hydrochloride
Names & synonyms
SCHEMBL1960471RYPOMMGQWGBHAB-KRWCAOSLSA-N(Z)-2-(3,4-dimethoxy-phenyl)-3-[5-(4-hydroxy-piperidin-1-yl)-thiophen-2-yl]-acrylonitrile hydrochloride
Database identifiers
- PubChem CID
- 67228445
Properties
Computed structural properties
- Topological polar surface area
- 94 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 538
Related reactions
1 records
Compound notes
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