2-(2-Oxo-2-phenylethyl)isoquinolin-2-ium chloride
Basic information
- CAS
73825-51-1- Standard SMILES
O=C(C[n+]1ccc2ccccc2c1)c1ccccc1.[Cl-]- InChIKey
YGUHRYCERCMKSD-UHFFFAOYSA-M- Molecular formula
- C17H14ClNO
- Average molar mass
- 283.7 g/mol
- Monoisotopic mass
- 283.0763918
Names & identifiers
- Preferred name
- 2-(2-Oxo-2-phenylethyl)isoquinolin-2-ium chloride
- IUPAC
- 2-isoquinolin-2-ium-2-yl-1-phenylethanone chloride
Names & synonyms
73825-51-1DTXSID609948952-(2-Oxo-2-phenylethyl)isoquinolin-2-ium chlorideRefChem:1060927DTXCID8014219262-Phenacylisoquinolinium chlorideISOQUINOLINIUM, 2-PHENACYL-, CHLORIDE
Database identifiers
- CAS
73825-51-1- PubChem CID
- 52610
- DTXSID
DTXSID60994895
Properties
Computed structural properties
- Topological polar surface area
- 21 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 308
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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