Basic information
- CAS
29868-84-6- Standard SMILES
CC(=O)c1sc(N2CCCCC2)[n+](-c2ccccc2)c1[O-]- InChIKey
KZWVUBXDCCMGDY-UHFFFAOYSA-N- Molecular formula
- C16H18N2O2S
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.10889899
Names & identifiers
- Preferred name
- 4-Thiazolidinone, 5-acetyl-3-phenyl-2-piperidino-, meso-ionic didehydro deriv.
- IUPAC
- 5-acetyl-3-phenyl-2-piperidin-1-yl-1,3-thiazol-3-ium-4-olate
Names & synonyms
4-Thiazolidinone, 5-acetyl-3-phenyl-2-piperidino-, meso-ionic didehydro deriv.29868-84-65-Acetyl-3-phenyl-2-piperidino-4-thiazolidinone meso-ionic didehydro deriv.Thiazolium, 5-acetyl-4-hydroxy-3-phenyl-2-piperidino-, hydroxide, inner saltDTXSID80183981RefChem:296625DTXCID20106472Thiazolium, 5-acetyl-4-hydroxy-3-phenyl-2-piperidino-, hydroxide, inner salt (8CI)(1E)-1-[4-Oxo-3-phenyl-2-(piperidin-1-ium-1-ylidene)-1,3-thiazolidin-5-ylidene]ethan-1-olate
Database identifiers
- CAS
29868-84-6- PubChem CID
- 207397
- DTXSID
DTXSID80183981
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 75.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 367
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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