7-Isoquinolinol, 1,2,3,4-tetrahydro-1,2-dimethyl-6-methoxy-, hydrochloride, (1S)-(+)-
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Basic information
- CAS
51713-81-6- Standard SMILES
COc1cc2c(cc1O)C(C)[NH+](C)CC2.[Cl-]- InChIKey
PATUPDPPWJDPTF-UHFFFAOYSA-N- Molecular formula
- C12H18ClNO2
- Average molar mass
- 243.73 g/mol
- Monoisotopic mass
- 243.1026065
Names & identifiers
- Preferred name
- 7-Isoquinolinol, 1,2,3,4-tetrahydro-1,2-dimethyl-6-methoxy-, hydrochloride, (1S)-(+)-
- IUPAC
- 6-methoxy-1,2-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-ol chloride
Names & synonyms
7-Isoquinolinol, 1,2,3,4-tetrahydro-1,2-dimethyl-6-methoxy-, hydrochloride, (1S)-(+)-51713-81-6(S)-(+)-N-Methylisosalsoline hydrochloride(1S)-(+)-1,2-Dimethyl-7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride7-Isoquinolinol, 1,2-dimethyl-6-methoxy-1,2,3,4-tetrahydro-, hydrochloride, (1S)-(+)-(1R)-(-)-1,2-Dimethyl-7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline hydrochlorideAKOS004902109
Database identifiers
- CAS
51713-81-6- PubChem CID
- 40092
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 33.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 222
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Compound notes
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