Basic information
- CAS
75413-87-5- Standard SMILES
COc1cc2c(cc1O)[C@@H](Cc1ccc(O)cc1)[N+](C)(C)CC2.[Cl-]- InChIKey
VPFXIJWKEYUDJZ-UNTBIKODSA-N- Molecular formula
- C19H24ClNO3
- Average molar mass
- 349.8 g/mol
- Monoisotopic mass
- 349.1444713
Names & identifiers
- Preferred name
- 1-((4-Hydroxyphenyl)methyl)-6-methoxy-2,2-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-olate--hydrogen chloride (1/1)
- IUPAC
- (1R)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-7-ol chloride
Names & synonyms
DTXSID709968601-((4-Hydroxyphenyl)methyl)-6-methoxy-2,2-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-olate--hydrogen chloride (1/1)RefChem:1053653DTXCID30142387275413-87-5Magnocurarine chlorideIsoquinolinium, 1,2,3,4-tetrahydro-7-hydroxy-1-((4-hydroxyphenyl)methyl)-6-methoxy-2,2-dimethyl-, chloride, (R)-
Database identifiers
- CAS
75413-87-5- PubChem CID
- 53265
Properties
Computed structural properties
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 392
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…