Basic information
- CAS
69381-52-8- Standard SMILES
[Cl-].c1ccc(C[NH+]2CCc3cccc(-c4ccccc4)c3C2)cc1- InChIKey
PTQLFCVMYMCDGV-UHFFFAOYSA-N- Molecular formula
- C22H22ClN
- Average molar mass
- 335.9 g/mol
- Monoisotopic mass
- 335.1440774
Names & identifiers
- Preferred name
- Isoquinoline, 1,2,3,4-tetrahydro-2-benzyl-8-phenyl-, hydrochloride
- IUPAC
- 2-benzyl-8-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride
Names & synonyms
69381-52-8ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-2-BENZYL-8-PHENYL-, HYDROCHLORIDERefChem:10877252-Benzyl-8-phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride1,2,3,4-Tetrahydro-2-benzyl-8-phenylisoquinoline hydrochloride
Database identifiers
- CAS
69381-52-8- PubChem CID
- 50466
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
- 353
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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