Basic information
- CAS
88461-83-0- Standard SMILES
CCOC(=O)c1c(C[NH+]2CCOCC2)n(-c2ccccc2)c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc12.[Cl-]- InChIKey
HTQDXKXZPYAWRA-UHFFFAOYSA-N- Molecular formula
- C29H31ClN2O6S
- Average molar mass
- 571.1 g/mol
- Monoisotopic mass
- 570.1591356
Names & identifiers
- Preferred name
- Indole-3-carboxylic acid, 5-hydroxy-2-(morpholinomethyl)-1-phenyl-, ethyl ester, p-toluenesulfonate (ester), hydrochloride
- IUPAC
- ethyl 5-(4-methylphenyl)sulfonyloxy-2-(morpholin-4-ium-4-ylmethyl)-1-phenylindole-3-carboxylate chloride
Names & synonyms
88461-83-0Indole-3-carboxylic acid, 5-hydroxy-2-(morpholinomethyl)-1-phenyl-, ethyl ester, p-toluenesulfonate (ester), hydrochlorideRefChem:349319
Database identifiers
- CAS
88461-83-0- PubChem CID
- 55818
Properties
Computed structural properties
- Topological polar surface area
- 96.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 874
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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