Basic information
- CAS
93202-77-8- Standard SMILES
COc1ccc(C2[NH2+]CCc3cc(O)ccc32)cc1.[Cl-]- InChIKey
YSNSULXHHUIKDQ-UHFFFAOYSA-N- Molecular formula
- C16H18ClNO2
- Average molar mass
- 291.77 g/mol
- Monoisotopic mass
- 291.1026065
Names & identifiers
- Preferred name
- 6-Isoquinolinol, 1,2,3,4-tetrahydro-1-(4-methoxyphenyl)-, hydrochloride
- IUPAC
- 1-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-6-ol chloride
Names & synonyms
93202-77-86-ISOQUINOLINOL, 1,2,3,4-TETRAHYDRO-1-(4-METHOXYPHENYL)-, HYDROCHLORIDERefChem:10740121,2,3,4-Tetrahydro-1-(4-methoxyphenyl)-6-isoquinolinol hydrochloride1-(4-Methoxyphenyl)-6-hydroxy-1,2,3,4-tetrahydroisoquinoline hydrochloride
Database identifiers
- CAS
93202-77-8- PubChem CID
- 56578
Properties
Computed structural properties
- Topological polar surface area
- 46.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 288
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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