Basic information
- CAS
62206-20-6- Standard SMILES
COc1cc2c(cc1OC)C1=[N+](CC2)CC(c2ccc(Br)cc2)=Nc2ccc(Cl)cc21.[Br-]- InChIKey
MQXKEHUQURUIIH-UHFFFAOYSA-M- Molecular formula
- C25H21Br2ClN2O2
- Average molar mass
- 576.7 g/mol
- Monoisotopic mass
- 573.96583
Names & identifiers
- Preferred name
- 7H-Isoquino(2,1-d)(1,4)benzodiazepin-8-ium, 9,10-dihydro-6-(p-bromophenyl)-2-chloro-12,13-dimethoxy-, bromide
- IUPAC
- 6-(4-bromophenyl)-2-chloro-12,13-dimethoxy-9,10-dihydro-7H-isoquinolino[2,1-d][1,4]benzodiazepin-8-ium bromide
Names & synonyms
62206-20-67H-Isoquino(2,1-d)(1,4)benzodiazepin-8-ium, 9,10-dihydro-6-(p-bromophenyl)-2-chloro-12,13-dimethoxy-, bromideRefChem:311418
Database identifiers
- CAS
62206-20-6- PubChem CID
- 43953
- DTXSID
DTXSID30977791
Properties
Computed structural properties
- Topological polar surface area
- 33.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 720
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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