Basic information
- Standard SMILES
Br.[Br-].c1cc[n+](Cc2cccc(C3OCCO3)n2)cc1- InChIKey
VLSRYYBTRSYZDF-UHFFFAOYSA-M- Molecular formula
- C14H16Br2N2O2
- Average molar mass
- 404.1 g/mol
Names & identifiers
- Preferred name
- 1-{[6-(1,3-Dioxolan-2-yl)pyridin-2-yl]methyl}pyridinium bromide hydrobromide
- IUPAC
- 2-(1,3-dioxolan-2-yl)-6-(pyridin-1-ium-1-ylmethyl)pyridine;bromide;hydrobromide
Names & synonyms
SCHEMBL1857098VLSRYYBTRSYZDF-UHFFFAOYSA-M1-{[6-(1,3-dioxolan-2-yl)pyridin-2-yl]methyl}pyridinium bromide hydrobromide
Database identifiers
- PubChem CID
- 67188271
Properties
Computed structural properties
- Topological polar surface area
- 35.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 250
Related reactions
2 records
Compound notes
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