Isoquinoline, 1,2,3,4-tetrahydro-1-(4-chlorophenethyl)-2-(2-(diethylamino)ethyl)-6,7-dimethoxy-, hydrobromide
Basic information
- CAS
63937-74-6- Standard SMILES
CC[NH+](CC)CCN1CCc2cc(OC)c(OC)cc2C1CCc1ccc(Cl)cc1.[Br-]- InChIKey
YDOWCNBJMHAORA-UHFFFAOYSA-N- Molecular formula
- C25H36BrClN2O2
- Average molar mass
- 511.9 g/mol
- Monoisotopic mass
- 510.16487
Names & identifiers
- Preferred name
- Isoquinoline, 1,2,3,4-tetrahydro-1-(4-chlorophenethyl)-2-(2-(diethylamino)ethyl)-6,7-dimethoxy-, hydrobromide
- IUPAC
- 2-[1-[2-(4-chlorophenyl)ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]ethyl-diethylazanium bromide
Names & synonyms
63937-74-6Isoquinoline, 1,2,3,4-tetrahydro-1-(4-chlorophenethyl)-2-(2-(diethylamino)ethyl)-6,7-dimethoxy-, hydrobromideRefChem:349902
Database identifiers
- CAS
63937-74-6- PubChem CID
- 45510
Properties
Computed structural properties
- Topological polar surface area
- 26.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 482
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Compound notes
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