Basic information
- CAS
64047-72-9- Standard SMILES
COc1ccc2c(c1O)CC[NH+](C)C2CCc1ccc(Cl)cc1.O=C([O-])C(=O)O- InChIKey
UUSSUURLYUEPHL-UHFFFAOYSA-N- Molecular formula
- C21H24ClNO6
- Average molar mass
- 421.9 g/mol
- Monoisotopic mass
- 421.1292152
Names & identifiers
- Preferred name
- 5-Isoquinolinol, 1,2,3,4-tetrahydro-1-(4-chlorophenethyl)-6-methoxy-2-methyl-, hydrogen oxalate
- IUPAC
- 1-[2-(4-chlorophenyl)ethyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-5-ol;2-hydroxy-2-oxoacetate
Names & synonyms
64047-72-91-(4-Chlorophenethyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-5-ol oxalate5-Isoquinolinol, 1,2,3,4-tetrahydro-1-(4-chlorophenethyl)-6-methoxy-2-methyl-, hydrogen oxalateRefChem:303597
Database identifiers
- CAS
64047-72-9- PubChem CID
- 46737
Properties
Computed structural properties
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 450
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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