Basic information
- CAS
63937-55-3- Standard SMILES
COc1cc2c(cc1OC)C(Cc1ccc([N+](=O)[O-])cc1)[NH+](C)CC2.[Cl-]- InChIKey
XCNYTGVCVIZWBO-UHFFFAOYSA-N- Molecular formula
- C19H23ClN2O4
- Average molar mass
- 378.8 g/mol
- Monoisotopic mass
- 378.1346349
Names & identifiers
- Preferred name
- Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-(4-nitrobenzyl)-, hydrochloride
- IUPAC
- 6,7-dimethoxy-2-methyl-1-[(4-nitrophenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium chloride
Names & synonyms
Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-(4-nitrobenzyl)-, hydrochloride63937-55-31-(4-Nitrobenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline hydrochlorideIsoquinoline, 6,7-dimethoxy-2-methyl-1-(4-nitrobenzyl)-1,2,3,4-tetrahydro-, hydrochlorideRefChem:349947
Database identifiers
- CAS
63937-55-3- PubChem CID
- 45489
Properties
Computed structural properties
- Topological polar surface area
- 68.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 447
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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