Isoquinolinium, 3,4-dihydro-6,7-dimethoxy-2-methyl-1-veratryl-, iodide
Basic information
- CAS
3947-79-3- Standard SMILES
COc1ccc(CC2=[N+](C)CCc3cc(OC)c(OC)cc32)cc1OC.[I-]- InChIKey
NVQXCYSLJOYHMH-UHFFFAOYSA-M- Molecular formula
- C21H26INO4
- Average molar mass
- 483.3 g/mol
- Monoisotopic mass
- 483.09066
Names & identifiers
- Preferred name
- Isoquinolinium, 3,4-dihydro-6,7-dimethoxy-2-methyl-1-veratryl-, iodide
- IUPAC
- 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide
Names & synonyms
NSC 1415223947-79-33,4-Dihydro-6,7-dimethoxy-2-methyl-1-veratrylisoquinolinium iodideISOQUINOLINIUM, 3,4-DIHYDRO-6,7-DIMETHOXY-2-METHYL-1-VERATRYL-, IODIDERefChem:350104DTXSID50960100NSC141522NSC-1415221-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide
Database identifiers
- CAS
3947-79-3- PubChem CID
- 19852
- DTXSID
DTXSID50960100
Properties
Computed structural properties
- Topological polar surface area
- 39.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 494
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Compound notes
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