2-[(E)-2-phenylethenyl]isoquinolin-2-ium bromide
Basic information
- CAS
5397-52-4- Standard SMILES
C(=C\[n+]1ccc2ccccc2c1)/c1ccccc1.[Br-]- InChIKey
ISNUVEHKVPLWHO-VHPXAQPISA-M- Molecular formula
- C17H14BrN
- Average molar mass
- 312.2 g/mol
- Monoisotopic mass
- 311.03096
Names & identifiers
- Preferred name
- 2-[(E)-2-phenylethenyl]isoquinolin-2-ium bromide
- IUPAC
- 2-[(E)-2-phenylethenyl]isoquinolin-2-ium bromide
Names & synonyms
NSC42255397-52-4NSC-4225
Database identifiers
- CAS
5397-52-4- PubChem CID
- 13762811
Properties
Computed structural properties
- Topological polar surface area
- 3.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 277
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Compound notes
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