Basic information
- Standard SMILES
CC(C)=CC[N+]1=C(C)OCC1.[Br-]- InChIKey
AUAVSHSWOCSIOE-UHFFFAOYSA-M- Molecular formula
- C9H16BrNO
- Average molar mass
- 234.13 g/mol
Names & identifiers
- Preferred name
- 2-Methyl-3-(3-methyl-2-butenyl)-2-oxazolinium bromide
- IUPAC
- 2-methyl-3-(3-methylbut-2-enyl)-4,5-dihydro-1,3-oxazol-3-ium bromide
Names & synonyms
SCHEMBL11109717AUAVSHSWOCSIOE-UHFFFAOYSA-M2-methyl-3-(3-methyl-2-butenyl)-2-oxazolinium bromide
Database identifiers
- PubChem CID
- 20474261
Properties
Computed structural properties
- Topological polar surface area
- 12.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 200
Related reactions
3 records
Compound notes
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