Basic information
- CAS
63937-87-1- Standard SMILES
Cc1cc2c(cc1C)C(CCc1ccc(Cl)cc1)[NH+](C)C(C)C2.[Cl-]- InChIKey
XMNLGWOTBAOGKU-UHFFFAOYSA-N- Molecular formula
- C21H27Cl2N
- Average molar mass
- 364.3 g/mol
- Monoisotopic mass
- 363.1520553
Names & identifiers
- Preferred name
- Isoquinoline, 1,2,3,4-tetrahydro-1-(4-chlorophenethyl)-2,3,6,7-tetramethyl-, hydrochloride
- IUPAC
- 1-[2-(4-chlorophenyl)ethyl]-2,3,6,7-tetramethyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride
Names & synonyms
Isoquinoline, 1,2,3,4-tetrahydro-1-(4-chlorophenethyl)-2,3,6,7-tetramethyl-, hydrochloride63937-87-11-(4-Chlorophenethyl)-2,3,6,7-tetramethyl-1,2,3,4-tetrahydroisoquinoline hydrochlorideIsoquinoline, 1-(4-chlorophenethyl)-1,2,3,4-tetrahydro-2,3,6,7-tetramethyl-, hydrochlorideRefChem:349901
Database identifiers
- CAS
63937-87-1- PubChem CID
- 45532
Properties
Computed structural properties
- Topological polar surface area
- 4.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 376
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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