Basic information
- CAS
64047-42-3- Standard SMILES
COc1cc2c(cc1O)CC[NH+](C)C2CCc1ccc(Cl)cc1.[Cl-]- InChIKey
GTPQRYRUWGEJBP-UHFFFAOYSA-N- Molecular formula
- C19H23Cl2NO2
- Average molar mass
- 368.3 g/mol
- Monoisotopic mass
- 367.1105844
Names & identifiers
- Preferred name
- 6-Isoquinolinol, 1,2,3,4-tetrahydro-1-(4-chlorophenethyl)-7-methoxy-2-methyl-, hydrochloride
- IUPAC
- 1-[2-(4-chlorophenyl)ethyl]-7-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-6-ol chloride
Names & synonyms
6-Isoquinolinol, 1,2,3,4-tetrahydro-1-(4-chlorophenethyl)-7-methoxy-2-methyl-, hydrochloride64047-42-31-(4-Chlorophenethyl)-7-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-6-ol hydrochlorideRefChem:308668
Database identifiers
- CAS
64047-42-3- PubChem CID
- 46692
Properties
Computed structural properties
- Topological polar surface area
- 33.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 372
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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