Basic information
- CAS
62675-04-1- Standard SMILES
C[N+]1(C)CCCC2c3ccccc3Sc3ccc(Cl)cc3C21.[Cl-]- InChIKey
DNDLACKWEBLFEP-UHFFFAOYSA-M- Molecular formula
- C19H21Cl2NS
- Average molar mass
- 366.3 g/mol
- Monoisotopic mass
- 365.0771762
Names & identifiers
- Preferred name
- Dibenzo(2,3:6,7)thiepino(4,5-b)pyridinium, 1,2,3,4,4a,13b-hexahydro-12-chloro-1,1-dimethyl-, chloride, hydrate
- IUPAC
- 18-chloro-3,3-dimethyl-14-thia-3-azoniatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene chloride
Names & synonyms
62675-04-1Dibenzo(2,3:6,7)thiepino(4,5-b)pyridinium, 1,2,3,4,4a,13b-hexahydro-12-chloro-1,1-dimethyl-, chloride, hydrateRefChem:337048DTXSID50978280AKOS00506562612-chloro-1,1-dimethyl-1,2,3,4,4a,13b-hexahydrodibenzo[2,3:6,7]thiepino[4,5-b]pyridin-1-ium chloride
Database identifiers
- CAS
62675-04-1- PubChem CID
- 44136
- DTXSID
DTXSID50978280
Properties
Computed structural properties
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 412
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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