Basic information
- CAS
93203-07-7- Standard SMILES
Oc1ccc2c(c1)C(Cl)C[NH+](Cc1ccccc1)C2c1ccccc1O.[Cl-]- InChIKey
GKDANVDPCNXPKH-UHFFFAOYSA-N- Molecular formula
- C22H21Cl2NO2
- Average molar mass
- 402.3 g/mol
- Monoisotopic mass
- 401.0949343
Names & identifiers
- Preferred name
- 6-Isoquinolinol, 1,2,3,4-tetrahydro-4-chloro-1-(2-hydroxyphenyl)-2-(phenylmethyl)-, hydrochloride
- IUPAC
- 2-benzyl-4-chloro-1-(2-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-6-ol chloride
Names & synonyms
6-Isoquinolinol, 1,2,3,4-tetrahydro-4-chloro-1-(2-hydroxyphenyl)-2-(phenylmethyl)-, hydrochloride93203-07-7RefChem:10740151-(2-Hydroxyphenyl)-2-benzyl-4-chloro-6-hydroxy-1,2,3,4-tetrahydroisoquinoline hydrochloride
Database identifiers
- CAS
93203-07-7- PubChem CID
- 56594
Properties
Computed structural properties
- Topological polar surface area
- 44.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 455
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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