Basic information
- CAS
93202-98-3- Standard SMILES
Oc1ccc2c(c1)C(O)C[NH+](Cc1ccccc1)C2c1ccccc1O.[Cl-]- InChIKey
IUNJTJVVPZTTGH-UHFFFAOYSA-N- Molecular formula
- C22H22ClNO3
- Average molar mass
- 383.9 g/mol
- Monoisotopic mass
- 383.1288213
Names & identifiers
- Preferred name
- 2-Benzyl-1-(2-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4,6-diol--hydrogen chloride (1/1)
- IUPAC
- 2-benzyl-1-(2-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol chloride
Names & synonyms
93202-98-3DTXSID109186072-Benzyl-1-(2-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4,6-diol--hydrogen chloride (1/1)RefChem:1062385DTXCID0013475544,6-Isoquinolinediol, 1,2,3,4-tetrahydro-1-(2-hydroxyphenyl)-2-(phenylmethyl)-, hydrochloride1,2,3,4-Tetrahydro-1-(2-hydroxyphenyl)-2-(phenylmethyl)-4,6-isoquinolinediol hydrochloride
Database identifiers
- CAS
93202-98-3- PubChem CID
- 56582
Properties
Computed structural properties
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 453
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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