10H-Phenothiazine-10-ethanaminium, N,N-diethyl-beta-oxo-N-(phenylmethyl)-, chloride (1:1)
Basic information
- CAS
103535-81-5- Standard SMILES
CC[N+](CC)(CC(=O)N1c2ccccc2Sc2ccccc21)Cc1ccccc1.[Cl-]- InChIKey
NHYGCNQDTMCWFF-UHFFFAOYSA-M- Molecular formula
- C25H27ClN2OS
- Average molar mass
- 439 g/mol
- Monoisotopic mass
- 438.1532624
Names & identifiers
- Preferred name
- 10H-Phenothiazine-10-ethanaminium, N,N-diethyl-beta-oxo-N-(phenylmethyl)-, chloride (1:1)
- IUPAC
- benzyl-diethyl-(2-oxo-2-phenothiazin-10-ylethyl)azanium chloride
Names & synonyms
103535-81-5RefChem:105729410H-Phenothiazine-10-ethanaminium, N,N-diethyl-beta-oxo-N-(phenylmethyl)-, chloride (1:1)Benzyldiethyl(((10-phenothiazinyl)carbonyl)methyl)ammonium chlorideAMMONIUM, BENZYLDIETHYL(((10-PHENOTHIAZINYL)CARBONYL)METHYL)-, CHLORIDEDTXSID90908460N-Benzyl-N,N-diethyl-2-oxo-2-(10H-phenothiazin-10-yl)ethan-1-aminium chloride
Database identifiers
- CAS
103535-81-5- PubChem CID
- 59759
- DTXSID
DTXSID90908460
Properties
Computed structural properties
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 521
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Compound notes
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