Basic information
- CAS
42773-88-6- Standard SMILES
O=C1C(c2ccccc2)c2ccccc2N1CC[NH+]1CCCCC1.[Cl-]- InChIKey
GIUFFUCZSHAYDI-UHFFFAOYSA-N- Molecular formula
- C21H25ClN2O
- Average molar mass
- 356.9 g/mol
- Monoisotopic mass
- 356.1655411
Names & identifiers
- Preferred name
- 2H-Indol-2-one, 1,3-dihydro-3-phenyl-1-(2-piperidinoethyl)-, monohydrochloride
- IUPAC
- 3-phenyl-1-(2-piperidin-1-ium-1-ylethyl)-3H-indol-2-one chloride
Names & synonyms
1,3-Dihydro-3-phenyl-1-(2-piperidinoethyl)-2H-indol-2-one hydrochloride42773-88-62H-INDOL-2-ONE, 1,3-DIHYDRO-3-PHENYL-1-(2-PIPERIDINOETHYL)-, MONOHYDROCHLORIDERefChem:268718
Database identifiers
- CAS
42773-88-6- PubChem CID
- 39289
Properties
Computed structural properties
- Topological polar surface area
- 24.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 426
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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