Isoquinoline, 1,2,3,4-tetrahydro-1-(2-((3,4-dichlorophenyl)thio)ethyl)-6,7-dimethoxyl-2-methyl-, hydrochloride
Basic information
- CAS
22309-30-4- Standard SMILES
COc1cc2c(cc1OC)C(CCSc1ccc(Cl)c(Cl)c1)N(C)CC2.Cl- InChIKey
SVQRFJLJHWRLPV-UHFFFAOYSA-N- Molecular formula
- C20H24Cl3NO2S
- Average molar mass
- 448.8 g/mol
- Monoisotopic mass
- 447.059333
Names & identifiers
- Preferred name
- Isoquinoline, 1,2,3,4-tetrahydro-1-(2-((3,4-dichlorophenyl)thio)ethyl)-6,7-dimethoxyl-2-methyl-, hydrochloride
- IUPAC
- 1-[2-(3,4-dichlorophenyl)sulfanylethyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride
Names & synonyms
22309-30-41-(3,4-Dichlorothiophenoxyethyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline HClIsoquinoline, 1,2,3,4-tetrahydro-1-(2-((3,4-dichlorophenyl)thio)ethyl)-6,7-dimethoxyl-2-methyl-, hydrochlorideRefChem:349892DTXSID809449531-{2-[(3,4-Dichlorophenyl)sulfanyl]ethyl}-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline--hydrogen chloride (1/1)
Database identifiers
- CAS
22309-30-4- PubChem CID
- 211113
- DTXSID
DTXSID80944953
Properties
Computed structural properties
- Topological polar surface area
- 47 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 444
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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