Basic information
- CAS
54971-35-6- Standard SMILES
COc1cc2c(cc1OC)C1=[N+](CC2)C(C)C(=O)Nc2ccccc21.[Br-]- InChIKey
BVWNPZVOXXZLEM-UHFFFAOYSA-N- Molecular formula
- C20H21BrN2O3
- Average molar mass
- 417.3 g/mol
- Monoisotopic mass
- 416.07356
Names & identifiers
- Preferred name
- 5H-Isoquino[2,1-d][1,4]benzodiazepin-8-ium, 6,7,9,10-tetrahydro-12,13-dimethoxy-7-methyl-6-oxo-, bromide
- IUPAC
- 12,13-dimethoxy-7-methyl-5,7,9,10-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-8-ium-6-one bromide
Names & synonyms
5H-Isoquino(2,1-d)(1,4)benzodiazepin-8-ium, 6,7,9,10-tetrahydro-12,13-dimethoxy-7-methyl-6-oxo-, bromide5H-Isoquino[2,1-d][1,4]benzodiazepin-8-ium, 6,7,9,10-tetrahydro-12,13-dimethoxy-7-methyl-6-oxo-, bromideRefChem:30569254971-35-6
Database identifiers
- CAS
54971-35-6- PubChem CID
- 41264
Properties
Computed structural properties
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 561
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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