1-[(3,4-Dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methylisoquinolin-2-ium
Basic information
- CAS
47488-72-2- Standard SMILES
COc1ccc(Cc2c3cc(OC)c(OC)cc3cc[n+]2C)cc1OC- InChIKey
GLAAELKYFVHNPM-UHFFFAOYSA-N- Molecular formula
- C21H24NO4+
- Average molar mass
- 354.4 g/mol
- Monoisotopic mass
- 354.17053325
Overview
1-(3,4-Dimethoxybenzyl)-6,7-dimethoxy-2-methylisoquinolinium has been reported in Berberis integerrima with data available.
Names & identifiers
- Preferred name
- 1-[(3,4-Dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methylisoquinolin-2-ium
- IUPAC
- 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methylisoquinolin-2-ium
Names & synonyms
Papaverine, N-methyl-XGK3BQ3C7N1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methylisoquinolin-2-iumCBDivE_002897SCHEMBL2460061CHEMBL16217231-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methylisoquinolinium1-[(3,4-Dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methylisoquinoliniumSTL565328AKOS003662610NCGC00246222-014-[(6,7-Dimethoxy-2-methylisoquinolyl)methyl]-1,2-dimethoxybenzene
Show more names
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-isoquinolin-2-ium1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-isoquinolineIsoquinolinium, 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-47488-72-2
Database identifiers
- CAS
47488-72-2- PubChem CID
- 165013
- ChEMBL
CHEMBL1621723- UNII
- XGK3BQ3C7N
- Nikkaji
- J330.985A
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 40.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 1
- Complexity
- 434
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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