Basic information
- Standard SMILES
CC(C)(C)c1cc[n+](CC(=O)c2ccccc2)cc1.[Br-]- InChIKey
QLNBKMQETROPRU-UHFFFAOYSA-M- Molecular formula
- C17H20BrNO
- Average molar mass
- 334.2 g/mol
Names & identifiers
- Preferred name
- 4-Tert-butyl-1-(2-oxo-2-phenylethyl)pyridinium bromide
- IUPAC
- 2-(4-tert-butylpyridin-1-ium-1-yl)-1-phenylethanone bromide
Names & synonyms
SCHEMBL6228096QLNBKMQETROPRU-UHFFFAOYSA-M4-TERT-BUTYL-1-(2-OXO-2-PHENYLETHYL)PYRIDINIUM BROMIDEAKOS024327983N-(phenacyl) 4-tert.butylpyridinium bromide
Database identifiers
- PubChem CID
- 22462637
Properties
Computed structural properties
- Topological polar surface area
- 21 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 291
Related reactions
1 records
Compound notes
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