Isoquinoline, 1-(2-((3,4-dichlorophenyl)sulfinyl)ethyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-, hydrochloride
Basic information
- CAS
22336-78-3- Standard SMILES
COc1cc2c(cc1OC)C(CCS(=O)c1ccc(Cl)c(Cl)c1)[NH+](C)CC2.[Cl-]- InChIKey
PKCGKEGIMFRBTG-UHFFFAOYSA-N- Molecular formula
- C20H24Cl3NO3S
- Average molar mass
- 464.8 g/mol
- Monoisotopic mass
- 463.054248
Names & identifiers
- Preferred name
- Isoquinoline, 1-(2-((3,4-dichlorophenyl)sulfinyl)ethyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-, hydrochloride
- IUPAC
- 1-[2-(3,4-dichlorophenyl)sulfinylethyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride
Names & synonyms
22336-78-3Isoquinoline, 1-(2-((3,4-dichlorophenyl)sulfinyl)ethyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-, hydrochlorideRefChem:349968
Database identifiers
- CAS
22336-78-3- PubChem CID
- 31144
Properties
Computed structural properties
- Topological polar surface area
- 59.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 512
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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