Isoquinolinium, 2-(2-(hydroxyimino)-2-phenylethyl)-, chloride
Basic information
- CAS
33860-81-0- Standard SMILES
O/N=C(/C[n+]1ccc2ccccc2c1)c1ccccc1.[Cl-]- InChIKey
NXXQDOFCUHEEAE-YBFBCAGJSA-N- Molecular formula
- C17H15ClN2O
- Average molar mass
- 298.8 g/mol
- Monoisotopic mass
- 298.0872908
Names & identifiers
- Preferred name
- Isoquinolinium, 2-(2-(hydroxyimino)-2-phenylethyl)-, chloride
- IUPAC
- (NE)-N-(2-isoquinolin-2-ium-2-yl-1-phenylethylidene)hydroxylamine chloride
Names & synonyms
33860-81-0ISOQUINOLINIUM, 2-(2-(HYDROXYIMINO)-2-PHENYLETHYL)-, CHLORIDERefChem:10877952-(2-(Hydroxyimino)-2-phenylethyl)isoquinolin-2-ium chloride1-Phenacyloxime isoquinolinium chloride2-(2-(Hydroxyimino)-2-phenylethyl)isoquinolinium chloride
Database identifiers
- CAS
33860-81-0- PubChem CID
- 9570519
Properties
Computed structural properties
- Topological polar surface area
- 36.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 336
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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