Isoquinoline, 1,2,3,4-tetrahydro-1-(4-chlorophenethyl)-6-methoxy-2-methyl-, hydrochloride
Basic information
- CAS
63937-84-8- Standard SMILES
COc1ccc2c(c1)CC[NH+](C)C2CCc1ccc(Cl)cc1.[Cl-]- InChIKey
OTIVPWAWDWVOBT-UHFFFAOYSA-N- Molecular formula
- C19H23Cl2NO
- Average molar mass
- 352.3 g/mol
- Monoisotopic mass
- 351.1156697
Names & identifiers
- Preferred name
- Isoquinoline, 1,2,3,4-tetrahydro-1-(4-chlorophenethyl)-6-methoxy-2-methyl-, hydrochloride
- IUPAC
- 1-[2-(4-chlorophenyl)ethyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride
Names & synonyms
Isoquinoline, 1,2,3,4-tetrahydro-1-(4-chlorophenethyl)-6-methoxy-2-methyl-, hydrochloride63937-84-81-(4-Chlorophenethyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline hydrochlorideIsoquinoline, 1-(4-chlorophenethyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydro-, hydrochlorideRefChem:349911
Database identifiers
- CAS
63937-84-8- PubChem CID
- 45526
Properties
Computed structural properties
- Topological polar surface area
- 13.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 342
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Compound notes
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