Isoquinolinium, 1-((4-methoxyphenyl)methyl)-2-methyl-5,6,7-trimethoxy-, iodide
Basic information
- CAS
4668-06-8- Standard SMILES
COc1ccc(Cc2c3cc(OC)c(OC)c(OC)c3cc[n+]2C)cc1.[I-]- InChIKey
YGXKLEJQANTEMR-UHFFFAOYSA-M- Molecular formula
- C21H24INO4
- Average molar mass
- 481.3 g/mol
- Monoisotopic mass
- 481.07501
Names & identifiers
- Preferred name
- Isoquinolinium, 1-((4-methoxyphenyl)methyl)-2-methyl-5,6,7-trimethoxy-, iodide
- IUPAC
- 5,6,7-trimethoxy-1-[(4-methoxyphenyl)methyl]-2-methylisoquinolin-2-ium iodide
Names & synonyms
Takatonine iodide1-((4-Methoxyphenyl)methyl)-2-methyl-5,6,7-trimethoxyisoquinolinium iodide4668-06-85,6,7-Trimethoxy-1-(p-methoxybenzyl)-2-methylisoquinolinium iodideIsoquinolinium, 5,6,7-trimethoxy-1-(p-methoxybenzyl)-2-methyl-, iodideIsoquinolinium, 1-((4-methoxyphenyl)methyl)-2-methyl-5,6,7-trimethoxy-, iodideRefChem:3500865,6,7-Trimethoxy-1-(p-methoxybenzyl)-2-methylisoquinolinium iodide (7CI)Isoquinolinium, 5,6,7-trimethoxy-1-(p-methoxybenzyl)-2-methyl-, iodide (8CI)CHEMBL312294DTXSID309636345,6,7-trimethoxy-1-[(4-methoxyphenyl)methyl]-2-methylisoquinolin-2-ium iodide
Database identifiers
- CAS
4668-06-8- PubChem CID
- 199654
- DTXSID
DTXSID30963634- ChEMBL
CHEMBL312294
Properties
Computed structural properties
- Topological polar surface area
- 40.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 426
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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