1-(2-((4-Chlorophenyl)thio)ethyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline hydrochloride
Basic information
- CAS
22309-29-1- Standard SMILES
COc1cc2c(cc1OC)C(CCSc1ccc(Cl)cc1)[NH+](C)CC2.[Cl-]- InChIKey
INGVJHIOFDAGIO-UHFFFAOYSA-N- Molecular formula
- C20H25Cl2NO2S
- Average molar mass
- 414.4 g/mol
- Monoisotopic mass
- 413.0983056
Names & identifiers
- Preferred name
- 1-(2-((4-Chlorophenyl)thio)ethyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline hydrochloride
- IUPAC
- 1-[2-(4-chlorophenyl)sulfanylethyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride
Names & synonyms
22309-29-1UNII-E2W214J53AE2W214J53A1-(2-((p-Chlorophenyl)thio)ethyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-isoquinoline HCl1-(2-((4-Chlorophenyl)thio)ethyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline hydrochlorideIsoquinoline, 1-(2-((p-chlorophenyl)thio)ethyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-, hydrochloride1-(2-((P-CHLOROPHENYL)THIO)ETHYL)-1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-1-(2-(4-CHLOROPHENYL)SULFANYLETHYL)-6,7-DIMETHOXY-2-METHYL-1,2,3,4-TETRAHYDROISOQUINOLIN-2-IUM CHLORIDEISOQUINOLINE, 1-(2-((4-CHLOROPHENYL)THIO)ETHYL)-1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-, HYDROCHLORIDE (1:1)RefChem:196899Q27276795
Database identifiers
- CAS
22309-29-1- PubChem CID
- 31133
Properties
Computed structural properties
- Topological polar surface area
- 48.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 405
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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