Pyridinium, 1-(7-chloro-2,3-dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-, chloride
Basic information
- CAS
40967-09-7- Standard SMILES
CN1C(=O)C([n+]2ccccc2)N=C(c2ccccc2)c2cc(Cl)ccc21.[Cl-]- InChIKey
NTLSTZVJJNMACQ-UHFFFAOYSA-M- Molecular formula
- C21H17Cl2N3O
- Average molar mass
- 398.3 g/mol
- Monoisotopic mass
- 397.0748676
Names & identifiers
- Preferred name
- Pyridinium, 1-(7-chloro-2,3-dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-, chloride
- IUPAC
- 7-chloro-1-methyl-5-phenyl-3-pyridin-1-ium-1-yl-3H-1,4-benzodiazepin-2-one chloride
Names & synonyms
40967-09-7Pyridinium, 1-(7-chloro-2,3-dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-, chlorideRefChem:1097354Pyridinium, 1-(7-chloro-1-methyl-2-oxo-5-phenyl-1,4-benzodiazepin-3-yl)-, chlorideDTXSID909613531-(7-Chloro-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)pyridin-1-ium chloride
Database identifiers
- CAS
40967-09-7- PubChem CID
- 218637
- DTXSID
DTXSID90961353
Properties
Computed structural properties
- Topological polar surface area
- 36.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 539
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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