Basic information
- Standard SMILES
CCCSSCc1cccc[n+]1-c1nc2ccccc2[nH]1.[Cl-]- InChIKey
LJNISKQPYCROJQ-UHFFFAOYSA-M- Molecular formula
- C16H18ClN3S2
- Average molar mass
- 351.9 g/mol
Names & identifiers
- Preferred name
- 1-(2-Benzimidazolyl)-2-[(propyldithio)methyl]pyridinium chloride
- IUPAC
- 2-[2-[(propyldisulfanyl)methyl]pyridin-1-ium-1-yl]-1H-benzimidazole chloride
Names & synonyms
SCHEMBL10712607LJNISKQPYCROJQ-UHFFFAOYSA-M1-(2-benzimidazolyl)-2-[(propyldithio)methyl]pyridinium chloride
Database identifiers
- PubChem CID
- 21295953
Properties
Computed structural properties
- Topological polar surface area
- 83.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 316
Related reactions
1 records
Compound notes
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