Basic information
- CAS
106086-23-1- Standard SMILES
COC(=O)CCCNC(=O)C1CSC(c2ccccc2)[NH2+]1.[Cl-]- InChIKey
XRELFAGRJLWRIF-UHFFFAOYSA-N- Molecular formula
- C15H21ClN2O3S
- Average molar mass
- 344.9 g/mol
- Monoisotopic mass
- 344.0961414
Names & identifiers
- Preferred name
- N-(4-Methoxy-4-oxobutyl)-2-phenyl-1,3-thiazolidine-4-carboximidic acid--hydrogen chloride (1/1)
- IUPAC
- methyl 4-[(2-phenyl-1,3-thiazolidin-3-ium-4-carbonyl)amino]butanoate chloride
Names & synonyms
106086-23-1DTXSID60909904N-(4-Methoxy-4-oxobutyl)-2-phenyl-1,3-thiazolidine-4-carboximidic acid--hydrogen chloride (1/1)RefChem:1091305DTXCID0013389634-(((2-Phenyl-4-thiazolidinyl)carbonyl)amino)butanoic acid methyl ester monohydrochlorideMethyl 2-phenylthiazolidine-4-carbonyl-N-aminobutyrate hydrochlorideButanoic acid, 4-(((2-phenyl-4-thiazolidinyl)carbonyl)amino)-, methyl ester, monohydrochloride
Database identifiers
- CAS
106086-23-1- PubChem CID
- 60108
Properties
Computed structural properties
- Topological polar surface area
- 97.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 359
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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