Quinolinium, 8-hydroxy-2-(p-methoxystyryl)-1-methyl-, methylsulfate

HCID 6447367

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Basic information

CAS: 73987-49-2
Standard SMILES: COS(=O)(=O)[O-].COc1ccc(/C=C/c2ccc3cccc(O)c3[n+]2C)cc1
InChIKey: UGWVVPMOLZCISG-AAGWESIMSA-N
Molecular formula: C20H21NO6S
Average molar mass: 403.5 g/mol
Monoisotopic mass: 403.10895856

Names & identifiers

Preferred name: Quinolinium, 8-hydroxy-2-(p-methoxystyryl)-1-methyl-, methylsulfate
IUPAC: 2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-methylquinolin-1-ium-8-ol;methyl sulfate

Names & synonyms

Quinolinium, 8-hydroxy-2-(p-methoxystyryl)-1-methyl-, methylsulfate73987-49-2RefChem:10979308-Hydroxy-2-(p-methoxystyryl)-1-methylquinolinium methylsulfate2-(p-Methoxystyryl)-N-methyl-8-hydroxyquinolinium methosulfate

Database identifiers

CAS: 73987-49-2
PubChem CID: 6447367

Properties

Computed structural properties

Topological polar surface area: 108 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 28
Formal charge: 0
Complexity: 466

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