Basic information
- CAS
76326-96-0- Standard SMILES
O=C(N[n+]1ccc2ccccc2c1)c1ccc(Cl)cc1.[Cl-]- InChIKey
ZHXAQWHTTNNMSB-UHFFFAOYSA-N- Molecular formula
- C16H12Cl2N2O
- Average molar mass
- 319.2 g/mol
- Monoisotopic mass
- 318.0326684
Names & identifiers
- Preferred name
- Isoquinolinium, 2-((4-chlorobenzoyl)amino)-, chloride
- IUPAC
- 4-chloro-N-isoquinolin-2-ium-2-ylbenzamide chloride
Names & synonyms
76326-96-0ISOQUINOLINIUM, 2-((4-CHLOROBENZOYL)AMINO)-, CHLORIDERefChem:10877942-((4-Chlorobenzoyl)amino)-isoquinolinium chloride
Database identifiers
- CAS
76326-96-0- PubChem CID
- 53474
Properties
Computed structural properties
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 341
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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