Basic information
- CAS
41958-59-2- Standard SMILES
C[C@H]1C(c2ccccc2)c2cc(Cl)cc(Cl)c2C[NH+]1C.[Cl-]- InChIKey
WULYHCNMZRXLOU-WLDKTUJCSA-N- Molecular formula
- C17H18Cl3N
- Average molar mass
- 342.7 g/mol
- Monoisotopic mass
- 341.050483
Names & identifiers
- Preferred name
- Isoquinoline, 1,2,3,4-tetrahydro-6,8-dichloro-2,3-dimethyl-4-phenyl-, hydrochloride, (E)-
- IUPAC
- (3S)-6,8-dichloro-2,3-dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride
Names & synonyms
Isoquinoline, 1,2,3,4-tetrahydro-6,8-dichloro-2,3-dimethyl-4-phenyl-, hydrochloride, (E)-41958-59-2RefChem:1087749Isoquinoline, 6,8-dichloro-2,3-dimethyl-4-phenyl-1,2,3,4-tetrahydro-, hydrochloride, (E)-trans-6,8-Dichloro-2,3-dimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride
Database identifiers
- CAS
41958-59-2- PubChem CID
- 39059
Properties
Computed structural properties
- Topological polar surface area
- 4.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 329
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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