Basic information
- CAS
62845-51-6- Standard SMILES
CSC(CCc1ccc(C)cc1)=[N+]1CCOCC1.[I-]- InChIKey
QRYSBHJAAGVTMH-UHFFFAOYSA-M- Molecular formula
- C15H22INOS
- Average molar mass
- 391.3 g/mol
- Monoisotopic mass
- 391.04668
Names & identifiers
- Preferred name
- 4-[3-(4-Methylphenyl)-1-(methylsulfanyl)propylidene]morpholin-4-ium iodide
- IUPAC
- 4-[3-(4-methylphenyl)-1-methylsulfanylpropylidene]morpholin-4-ium iodide
Names & synonyms
62845-51-6DTXSID604951504-[3-(4-Methylphenyl)-1-(methylsulfanyl)propylidene]morpholin-4-ium iodide
Database identifiers
- CAS
62845-51-6- PubChem CID
- 12376778
- DTXSID
DTXSID60495150
Properties
Computed structural properties
- Topological polar surface area
- 37.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 274
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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