Basic information
- CAS
61189-90-0- Standard SMILES
COc1cc2c[nH+]cc(Cc3c(Cl)cccc3Cl)c2cc1OC.CS(=O)(=O)[O-]- InChIKey
QJDSYHNAIJNRMN-UHFFFAOYSA-N- Molecular formula
- C19H19Cl2NO5S
- Average molar mass
- 444.3 g/mol
- Monoisotopic mass
- 443.0360993
Names & identifiers
- Preferred name
- Isoquinoline, 4-(2,6-dichlorobenzyl)-6,7-dimethoxy-, methanesulfonate
- IUPAC
- 4-[(2,6-dichlorophenyl)methyl]-6,7-dimethoxyisoquinolin-2-ium;methanesulfonate
Names & synonyms
4-(2,6-Dichlorobenzyl)-6,7-dimethoxyisoquinoline methanesulfonate61189-90-0ISOQUINOLINE, 4-(2,6-DICHLOROBENZYL)-6,7-DIMETHOXY-, METHANESULFONATERefChem:350034
Database identifiers
- CAS
61189-90-0- PubChem CID
- 43564
Properties
Computed structural properties
- Topological polar surface area
- 98.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 453
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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