Basic information
- CAS
31382-97-5- Standard SMILES
O=C(N[n+]1ccc2ccccc2c1)c1ccccc1.[Cl-]- InChIKey
HOKZMRKYWOJKQC-UHFFFAOYSA-N- Molecular formula
- C16H13ClN2O
- Average molar mass
- 284.74 g/mol
- Monoisotopic mass
- 284.0716407
Names & identifiers
- Preferred name
- N-(2lambda~5~-Isoquinolin-2-ylidene)benzamide--hydrogen chloride (1/1)
- IUPAC
- N-isoquinolin-2-ium-2-ylbenzamide chloride
Names & synonyms
31382-97-5RefChem:1091096DTXSID00953421DTXCID801381473N-(2lambda~5~-Isoquinolin-2-ylidene)benzamide--hydrogen chloride (1/1)2-(Benzoylamino)-isoquinolinium chlorideN-Benzoyl-imino-isoquinolineISOQUINOLINIUM, 2-(BENZOYLAMINO)-, CHLORIDE
Database identifiers
- CAS
31382-97-5- PubChem CID
- 35787
Properties
Computed structural properties
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 312
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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