Basic information
- CAS
88461-80-7- Standard SMILES
CCOC(=O)c1c(C[NH+](CC)CC)n(C)c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc12.[Cl-]- InChIKey
CZZPXWORFZRLMK-UHFFFAOYSA-N- Molecular formula
- C24H31ClN2O5S
- Average molar mass
- 495 g/mol
- Monoisotopic mass
- 494.164221
Names & identifiers
- Preferred name
- Indole-3-carboxylic acid, 2-((diethylamino)methyl)-5-hydroxy-1-methyl-, ethyl ester, p-toluenesulfonate (ester), hydrochloride
- IUPAC
- [3-ethoxycarbonyl-1-methyl-5-(4-methylphenyl)sulfonyloxyindol-2-yl]methyl-diethylazanium chloride
Names & synonyms
88461-80-71-Methyl-2-diethylaminomethyl-3-ethoxycarbonyl-5-tosyloxyindole hydrochlorideIndole-3-carboxylic acid, 2-((diethylamino)methyl)-5-hydroxy-1-methyl-, ethyl ester, p-toluenesulfonate (ester), hydrochlorideRefChem:349313
Database identifiers
- CAS
88461-80-7- PubChem CID
- 55812
Properties
Computed structural properties
- Topological polar surface area
- 87.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 712
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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