Basic information
- CAS
37126-51-5- Standard SMILES
CCC1(c2ccccc2)C(=O)N(CC[NH+](C)C)c2ccccc21.[Cl-]- InChIKey
ZMSVOSFKRLFMHA-UHFFFAOYSA-N- Molecular formula
- C20H25ClN2O
- Average molar mass
- 344.9 g/mol
- Monoisotopic mass
- 344.1655411
Names & identifiers
- Preferred name
- 2H-Indol-2-one, 1,3-dihydro-1-(2-(dimethylamino)ethyl)-3-ethyl-3-phenyl-, hydrochloride, hydrate (2:2:1)
- IUPAC
- 2-(3-ethyl-2-oxo-3-phenylindol-1-yl)ethyl-dimethylazanium chloride
Names & synonyms
37126-51-51,3-Dihydro-1-(2-(dimethylamino)ethyl)-3-ethyl-3-phenyl-2H-indol-2-one hydrochloride hydrate2H-Indol-2-one, 1,3-dihydro-1-(2-(dimethylamino)ethyl)-3-ethyl-3-phenyl-, hydrochloride, hydrate (2:2:1)RefChem:268683
Database identifiers
- CAS
37126-51-5- PubChem CID
- 37637
Properties
Computed structural properties
- Topological polar surface area
- 24.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 416
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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