Basic information
- CAS
41958-58-1- Standard SMILES
C[C@H]1C(c2ccccc2)c2cc(Cl)ccc2C[NH+]1C.[Cl-]- InChIKey
ZSKVJELBWINZHA-HSQRQWGBSA-N- Molecular formula
- C17H19Cl2N
- Average molar mass
- 308.2 g/mol
- Monoisotopic mass
- 307.089455
Names & identifiers
- Preferred name
- 6-Chloro-2,3-dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline--hydrogen chloride (1/1)
- IUPAC
- (3S)-6-chloro-2,3-dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride
Names & synonyms
41958-58-1DTXSID909621086-Chloro-2,3-dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline--hydrogen chloride (1/1)RefChem:1073860DTXCID101389921Isoquinoline, 1,2,3,4-tetrahydro-6-chloro-2,3-dimethyl-4-phenyl-, hydrochloride, (E)-Isoquinoline, 6-chloro-2,3-dimethyl-4-phenyl-1,2,3,4-tetrahydro-, hydrochloride, (E)-trans-6-Chloro-2,3-dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride
Database identifiers
- CAS
41958-58-1- PubChem CID
- 39057
Properties
Computed structural properties
- Topological polar surface area
- 4.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 300
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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