Basic information
- CAS
57543-08-5- Standard SMILES
COc1cc2c(cc1OC)CC(Cc1ccccc1)[NH2+]C2.[Br-]- InChIKey
HTQKMKGTTGLMKF-UHFFFAOYSA-N- Molecular formula
- C18H22BrNO2
- Average molar mass
- 364.3 g/mol
- Monoisotopic mass
- 363.08339
Names & identifiers
- Preferred name
- 3-Benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline--hydrogen bromide (1/1)
- IUPAC
- 3-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium bromide
Names & synonyms
57543-08-5DTXSID809730863-Benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline--hydrogen bromide (1/1)RefChem:1067388DTXCID6014005443-Benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrobromideISOQUINOLINE, 1,2,3,4-TETRAHYDRO-3-BENZYL-6,7-DIMETHOXY-, HYDROBROMIDEIsoquinoline, 3-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydro-, hydrobromide
Database identifiers
- CAS
57543-08-5- PubChem CID
- 42418
Properties
Computed structural properties
- Topological polar surface area
- 35.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 316
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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