Basic information
- Standard SMILES
COc1ccc(CSC2CCN(CC=Cc3ccccc3)CC2)c(OC)c1OC.O=C(O)/C=C/C(=O)O- InChIKey
UCQYSSKYQSAHOZ-WLHGVMLRSA-N- Molecular formula
- C28H35NO7S
- Average molar mass
- 529.6 g/mol
Names & identifiers
- Preferred name
- 4-(2,3,4-Trimethoxybenzylthio)-1-cinnamylpiperidine fumarate
- IUPAC
- (E)-but-2-enedioic acid;1-(3-phenylprop-2-enyl)-4-[(2,3,4-trimethoxyphenyl)methylsulfanyl]piperidine
Names & synonyms
SCHEMBL9622178UCQYSSKYQSAHOZ-WLHGVMLRSA-N4-(2,3,4-trimethoxybenzylthio)-1-cinnamylpiperidine fumarate
Database identifiers
- PubChem CID
- 67894540
Properties
Computed structural properties
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 594
Related reactions
2 records
Compound notes
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