2,3,10,11-Tetramethoxy-7-methyl-5,8,13,13a-tetrahydro-6H-isoquinolino(3,2-a)isoquinolin-7-ium iodide
Basic information
- CAS
120052-37-1- Standard SMILES
COc1cc2c(cc1OC)C[N+]1(C)CCc3cc(OC)c(OC)cc3C1C2.[I-]- InChIKey
VLJWWKNAKCCFQO-UHFFFAOYSA-M- Molecular formula
- C22H28INO4
- Average molar mass
- 497.4 g/mol
- Monoisotopic mass
- 497.10631
Names & identifiers
- Preferred name
- 2,3,10,11-Tetramethoxy-7-methyl-5,8,13,13a-tetrahydro-6H-isoquinolino(3,2-a)isoquinolin-7-ium iodide
- IUPAC
- 2,3,10,11-tetramethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium iodide
Names & synonyms
120052-37-1DTXSID809232032,3,10,11-Tetramethoxy-7-methyl-5,8,13,13a-tetrahydro-6H-isoquinolino(3,2-a)isoquinolin-7-ium iodide2,3,10,11-Tetramethoxy-7-methyl-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinolin-7-ium iodideRefChem:1059157DTXCID60135206057129-74-5NSC1180752,3,10,11-Tetramethoxy-7-methyl-5,8,13,13a-tetrahydro-6H-isoquino(3,2-a)isoquinolinium2,3,10,11-tetramethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium iodide(+-)-N-Methylxylopinine iodide(+-)-N-Methylxylopininium iodide
Show more names
NSC 1180752,3,10,11-Tetramethoxy-7-methyl-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinolinium6H-Dibenzo(a,g)quinolizinium, 5,8,13,13a-tetrahydro-7-methyl-2,3,10,11-tetramethoxy-, iodide, (+-)-HTS25953NSC-1180752,3,10,11-tetramethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium hydroiodide
Database identifiers
- CAS
120052-37-1、57129-74-5- PubChem CID
- 467252
Properties
Computed structural properties
- Topological polar surface area
- 36.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 517
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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