Basic information
- CAS
57542-92-4- Standard SMILES
COc1cc2cc[nH+]c(Cc3ccccc3)c2cc1OC.CS(=O)(=O)[O-]- InChIKey
BAMQRFNKZKQHST-UHFFFAOYSA-N- Molecular formula
- C19H21NO5S
- Average molar mass
- 375.4 g/mol
- Monoisotopic mass
- 375.11404394
Names & identifiers
- Preferred name
- Isoquinoline, 1-benzyl-6,7-dimethoxy-, methanesulfonate
- IUPAC
- 1-benzyl-6,7-dimethoxyisoquinolin-2-ium;methanesulfonate
Names & synonyms
ISOQUINOLINE, 1-BENZYL-6,7-DIMETHOXY-, METHANESULFONATE57542-92-4RefChem:10877611-Benzyl-6,7-dimethoxyisoquinoline methanesulfonate
Database identifiers
- CAS
57542-92-4- PubChem CID
- 42413
Properties
Computed structural properties
- Topological polar surface area
- 98.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 396
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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