Basic information
- CAS
1045-82-5- Standard SMILES
CCN(CC)CCC(=O)[NH+]1c2ccccc2Sc2ccc(Cl)cc21.[Cl-]- InChIKey
QELDTSNVBZMBTQ-UHFFFAOYSA-N- Molecular formula
- C19H22Cl2N2OS
- Average molar mass
- 397.4 g/mol
- Monoisotopic mass
- 396.0829899
Names & identifiers
- Preferred name
- 1-(2-chloro-10H-phenothiazin-10-ium-10-yl)-3-(diethylamino)propan-1-one chloride
- IUPAC
- 1-(2-chloro-10H-phenothiazin-10-ium-10-yl)-3-(diethylamino)propan-1-one chloride
Names & synonyms
NS00042199
Database identifiers
- CAS
1045-82-5- PubChem CID
- 53446972
Properties
Computed structural properties
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 432
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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