Basic information
- CAS
61189-93-3- Standard SMILES
COc1ccc(Cc2c[nH+]cc3cc(OC)c(OC)cc23)cc1OC.CS(=O)(=O)[O-]- InChIKey
AAHDTBUXPGQCEJ-UHFFFAOYSA-N- Molecular formula
- C21H25NO7S
- Average molar mass
- 435.5 g/mol
- Monoisotopic mass
- 435.13517331
Names & identifiers
- Preferred name
- Isoquinoline, 6,7-dimethoxy-4-(3,4-dimethoxybenzyl)-, methanesulfonate
- IUPAC
- 4-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinolin-2-ium;methanesulfonate
Names & synonyms
6,7-Dimethoxy-4-(3,4-dimethoxybenzyl)isoquinoline methanesulfonateISOQUINOLINE, 6,7-DIMETHOXY-4-(3,4-DIMETHOXYBENZYL)-, METHANESULFONATE61189-93-3RefChem:3500534-(3,4-Dimethoxybenzyl)-6,7-dimethoxyisoquinoline methanesulfonate
Database identifiers
- CAS
61189-93-3- PubChem CID
- 43570
Properties
Computed structural properties
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 486
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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