Basic information
- Standard SMILES
Br.CC(C)=CCCCCC[n+]1cccc([C@@H]2CCCN2C)c1.[Br-]- InChIKey
HSTCGSSZKZHSQL-TXEPZDRESA-M- Molecular formula
- C19H32Br2N2
- Average molar mass
- 448.3 g/mol
Names & identifiers
- Preferred name
- (S)-1-(7-Methyl-oct-6-enyl)-3-(1-methyl-pyrrolidin-2-yl)-pyridinium bromide hydrobromide
- IUPAC
- 1-(7-methyloct-6-enyl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium;bromide;hydrobromide
Names & synonyms
SCHEMBL5883167HSTCGSSZKZHSQL-TXEPZDRESA-M(S)-1-(7-Methyl-oct-6-enyl)-3-(1-methyl-pyrrolidin-2-yl)-pyridinium bromide hydrobromide
Database identifiers
- PubChem CID
- 69596141
Properties
Computed structural properties
- Topological polar surface area
- 7.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 320
Related reactions
1 records
Compound notes
Loading…