Basic information
- CAS
42583-66-4- Standard SMILES
CC(=O)C1Sc2ccccc2N(CCC[NH+](C)C)C1c1ccccc1.[Cl-]- InChIKey
FEXADQLJIYBFNE-UHFFFAOYSA-N- Molecular formula
- C21H27ClN2OS
- Average molar mass
- 391 g/mol
- Monoisotopic mass
- 390.1532624
Overview
structure
Names & identifiers
- Preferred name
- 2-Acetyl-4-((3-dimethylamino)propyl)-3,4-dihydro-3-phenyl-2H-1,4-benzothiazine
- IUPAC
- 3-(2-acetyl-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl)propyl-dimethylazanium chloride
Names & synonyms
42583-66-42-Acetyl-4-((3-dimethylamino)propyl)-3,4-dihydro-3-phenyl-2H-1,4-benzothiazineRefChem:849742-Acetyl-4-(3-(dimethylamino)propyl)-3,4-dihydro-3-phenyl-2H-1,4-benzothiazine hydrochloride3-(2-acetyl-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl)propyl-dimethylazanium;chlorideKetone, 4-(3-(dimethylamino)propyl)-3,4-dihydro-3-phenyl-2H-1,4-benzothiazin-2-yl methyl-, monohydrochloride, trans-2-Acetyl-4-((3-dimethylamino)propyl)-3,4-dihydro-3- phenyl-2H-1,4-benzothiazine
Database identifiers
- CAS
42583-66-4- PubChem CID
- 39233
Properties
Computed structural properties
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 436
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…