Isoquinoline, 1,2,3,4-tetrahydro-1-(4-chlorophenethyl)-6,7-dimethyl-2-methyl-, hydrobromide
Basic information
- CAS
63937-83-7- Standard SMILES
Cc1cc2c(cc1C)C(CCc1ccc(Cl)cc1)[NH+](C)CC2.[Br-]- InChIKey
IIGBCTZAXJGMSA-UHFFFAOYSA-N- Molecular formula
- C20H25BrClN
- Average molar mass
- 394.8 g/mol
- Monoisotopic mass
- 393.08589
Names & identifiers
- Preferred name
- Isoquinoline, 1,2,3,4-tetrahydro-1-(4-chlorophenethyl)-6,7-dimethyl-2-methyl-, hydrobromide
- IUPAC
- 1-[2-(4-chlorophenyl)ethyl]-2,6,7-trimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium bromide
Names & synonyms
Isoquinoline, 1,2,3,4-tetrahydro-1-(4-chlorophenethyl)-6,7-dimethyl-2-methyl-, hydrobromide63937-83-71-(4-Chlorophenethyl)-6,7-dimethyl-2-methyl-1,2,3,4-tetrahydroisoquinoline hydrobromideIsoquinoline, 1-(4-chlorophenethyl)-6,7-dimethyl-2-methyl-1,2,3,4-tetrahydro-, hydrobromideRefChem:349910
Database identifiers
- CAS
63937-83-7- PubChem CID
- 45524
Properties
Computed structural properties
- Topological polar surface area
- 4.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 350
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Compound notes
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