Basic information
- CAS
72511-91-2- Standard SMILES
COc1ccc(C2[NH2+]CC(O)c3cc(O)ccc32)cc1OC.[Cl-]- InChIKey
GNVSEKKVRRZZNB-UHFFFAOYSA-N- Molecular formula
- C17H20ClNO4
- Average molar mass
- 337.8 g/mol
- Monoisotopic mass
- 337.1080858
Names & identifiers
- Preferred name
- 1-(3,4-Dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4,6-diol--hydrogen chloride (1/1)
- IUPAC
- 1-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol chloride
Names & synonyms
72511-91-2DTXSID709933541-(3,4-Dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4,6-diol--hydrogen chloride (1/1)RefChem:1054093DTXCID9014204021,2,3,4-Tetrahydro-1-(3,4-dimethoxyphenyl)-4,6-isoquinolinediol hydrochloride4,6-ISOQUINOLINEDIOL, 1,2,3,4-TETRAHYDRO-1-(3,4-DIMETHOXYPHENYL)-, HYDROCHLORIDE
Database identifiers
- CAS
72511-91-2- PubChem CID
- 51610
Properties
Computed structural properties
- Topological polar surface area
- 75.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 367
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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