2(3H)-Benzofuranone, 3-(2-piperidinoethyl)-3-phenyl-, hydrochloride
Basic information
- CAS
63917-69-1- Standard SMILES
O=C1Oc2ccccc2C1(CC[NH+]1CCCCC1)c1ccccc1.[Cl-]- InChIKey
WRBGACYDFKHNSU-UHFFFAOYSA-N- Molecular formula
- C21H24ClNO2
- Average molar mass
- 357.9 g/mol
- Monoisotopic mass
- 357.1495567
Names & identifiers
- Preferred name
- 2(3H)-Benzofuranone, 3-(2-piperidinoethyl)-3-phenyl-, hydrochloride
- IUPAC
- 3-phenyl-3-(2-piperidin-1-ium-1-ylethyl)-1-benzofuran-2-one chloride
Names & synonyms
AP 592(3H)-BENZOFURANONE, 3-(2-PIPERIDINOETHYL)-3-PHENYL-, HYDROCHLORIDE63917-69-1RefChem:241470
Database identifiers
- CAS
63917-69-1- PubChem CID
- 45311
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 439
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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