Isoquinoline, 1,2,3,4-tetrahydro-1-(p-(isopropylsulfonyl)phenyl)-6,7-dimethoxy-2-methyl-, hydrochloride
Basic information
- CAS
20884-91-7- Standard SMILES
COc1cc2c(cc1OC)C(c1ccc(S(=O)(=O)C(C)C)cc1)[NH+](C)CC2.[Cl-]- InChIKey
ZBIVDDQUOUICPJ-UHFFFAOYSA-N- Molecular formula
- C21H28ClNO4S
- Average molar mass
- 426 g/mol
- Monoisotopic mass
- 425.1427572
Names & identifiers
- Preferred name
- Isoquinoline, 1,2,3,4-tetrahydro-1-(p-(isopropylsulfonyl)phenyl)-6,7-dimethoxy-2-methyl-, hydrochloride
- IUPAC
- 6,7-dimethoxy-2-methyl-1-(4-propan-2-ylsulfonylphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium chloride
Names & synonyms
20884-91-7Isoquinoline, 1,2,3,4-tetrahydro-1-(p-(isopropylsulfonyl)phenyl)-6,7-dimethoxy-2-methyl-, hydrochloride1,2,3,4-Tetrahydro-1-(p-(isopropylsulfonyl)phenyl)-6,7-dimethoxy-2-methyl-isoquinoline HClRefChem:349914
Database identifiers
- CAS
20884-91-7- PubChem CID
- 30343
Properties
Computed structural properties
- Topological polar surface area
- 65.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 579
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Compound notes
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