Basic information
- CAS
89645-99-8- Standard SMILES
CCCCCCSC[n+]1cccc2cc(C)ccc21.[Cl-]- InChIKey
NVEZWPVVJKNEOD-UHFFFAOYSA-M- Molecular formula
- C17H24ClNS
- Average molar mass
- 309.9 g/mol
- Monoisotopic mass
- 309.1317986
Names & identifiers
- Preferred name
- 1-[(Hexylsulfanyl)methyl]-6-methylquinolin-1-ium chloride
- IUPAC
- 1-(hexylsulfanylmethyl)-6-methylquinolin-1-ium chloride
Names & synonyms
89645-99-8DTXSID105370941-[(HEXYLSULFANYL)METHYL]-6-METHYLQUINOLIN-1-IUM CHLORIDE
Database identifiers
- CAS
89645-99-8- PubChem CID
- 13330786
- DTXSID
DTXSID10537094
Properties
Computed structural properties
- Topological polar surface area
- 29.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 243
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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