Basic information
- Standard SMILES
CCCCc1ccc(C#CCC[n+]2cccc(CC)c2)cc1.[Br-]- InChIKey
ZZVOJFWUHHKIJW-UHFFFAOYSA-M- Molecular formula
- C21H26BrN
- Average molar mass
- 372.3 g/mol
Names & identifiers
- Preferred name
- 1-[4-(4-Butyl-phenyl)-but-3-ynyl]-3-ethyl-pyridinium bromide
- IUPAC
- 1-[4-(4-butylphenyl)but-3-ynyl]-3-ethylpyridin-1-ium bromide
Names & synonyms
SCHEMBL3313350ZZVOJFWUHHKIJW-UHFFFAOYSA-M1-[4-(4-butyl-phenyl)-but-3-ynyl]-3-ethyl-pyridinium bromide
Database identifiers
- PubChem CID
- 24780950
Properties
Computed structural properties
- Topological polar surface area
- 3.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 353
Related reactions
1 records
Compound notes
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