1,3-Dioxolo(4,5-g)isoquinolinium, 7,8-dihydro-6-(7,8-dihydro-5-hydroxy-4-methoxy-1,3-dioxolo(4,5-g)isoquinolin-6(5H)-yl)-4-methoxy-, chloride
Basic information
- CAS
5584-82-7- Standard SMILES
COc1c2c(cc3c1OCO3)CC[N+](N1CCc3cc4c(c(OC)c3C1O)OCO4)=C2.[Cl-]- InChIKey
LGUAZQBWNNOEBF-UHFFFAOYSA-M- Molecular formula
- C22H23ClN2O7
- Average molar mass
- 462.9 g/mol
- Monoisotopic mass
- 462.1193788
Names & identifiers
- Preferred name
- 1,3-Dioxolo(4,5-g)isoquinolinium, 7,8-dihydro-6-(7,8-dihydro-5-hydroxy-4-methoxy-1,3-dioxolo(4,5-g)isoquinolin-6(5H)-yl)-4-methoxy-, chloride
- IUPAC
- 4-methoxy-6-(4-methoxy-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-6-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-ol chloride
Names & synonyms
5584-82-71,3-Dioxolo(4,5-g)isoquinolinium, 7,8-dihydro-6-(7,8-dihydro-5-hydroxy-4-methoxy-1,3-dioxolo(4,5-g)isoquinolin-6(5H)-yl)-4-methoxy-, chlorideRefChem:219051DTXSID60971242(5'-Hydroxy-4'-methoxy-7,7',8,8'-tetrahydro-2H,2'H,4H,5'H-[6,6'-bi[1,3]dioxolo[4,5-g]isoquinolin]-4-ylidene)(methyl)oxidanium chloride
Database identifiers
- CAS
5584-82-7- PubChem CID
- 21766
- DTXSID
DTXSID60971242
Properties
Computed structural properties
- Topological polar surface area
- 81.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 707
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Related reactions
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Compound notes
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