Basic information
- Standard SMILES
Br.CCCCC/C=C\CCC[n+]1cccc([C@@H]2CCCN2C)c1.[Br-]- InChIKey
WRJTZBNRLBBAAZ-XNCDECOISA-M- Molecular formula
- C20H34Br2N2
- Average molar mass
- 462.3 g/mol
Names & identifiers
- Preferred name
- (s)-cis-1-Dec-4-enyl-3-(1-methyl-pyrrolidin-2-yl)-pyridinium bromide hydrobromide salt
- IUPAC
- 1-[(Z)-dec-4-enyl]-3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium;bromide;hydrobromide
Names & synonyms
SCHEMBL5882800WRJTZBNRLBBAAZ-XNCDECOISA-M(s)-cis-1-dec-4-enyl-3-(1-methyl-pyrrolidin-2-yl)-pyridinium bromide hydrobromide salt
Database identifiers
- PubChem CID
- 69596039
Properties
Computed structural properties
- Topological polar surface area
- 7.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 313
Related reactions
1 records
Compound notes
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