Basic information
- Standard SMILES
C[N+]1(C)C(CO)CSC1c1ccccc1.Cc1ccc(S(=O)(=O)[O-])cc1- InChIKey
YOGXEGXHCQCBAG-UHFFFAOYSA-M- Molecular formula
- C19H25NO4S2
- Average molar mass
- 395.5 g/mol
Names & identifiers
- Preferred name
- 3,3-Dimethyl-4-hydroxymethyl-2-phenylthiazolidinium p-toluenesulfonate
- IUPAC
- (3,3-dimethyl-2-phenyl-1,3-thiazolidin-3-ium-4-yl)methanol;4-methylbenzenesulfonate
Names & synonyms
SCHEMBL9469741YOGXEGXHCQCBAG-UHFFFAOYSA-M3,3-Dimethyl-4-hydroxymethyl-2-phenylthiazolidinium p-toluenesulfonate
Database identifiers
- PubChem CID
- 15052259
Properties
Computed structural properties
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 407
Related reactions
2 records
Compound notes
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