1,3-Dioxolo(4,5-g)isoquinolinium, 6,6'-decamethylenebis(5,6,7,8-tetrahydro-6-methyl-5-(3,4-(methylenedioxy)phenyl)-, diiodide
Basic information
- CAS
20232-95-5- Standard SMILES
C[N+]1(CCCCCCCCCC[N+]2(C)CCc3cc4c(cc3C2c2ccc3c(c2)OCO3)OCO4)CCc2cc3c(cc2C1c1ccc2c(c1)OCO2)OCO3.[I-].[I-]- InChIKey
SRXVAIORCPKQJO-UHFFFAOYSA-L- Molecular formula
- C46H54I2N2O8
- Average molar mass
- 1,016.7 g/mol
- Monoisotopic mass
- 1,016.19696
Names & identifiers
- Preferred name
- 1,3-Dioxolo(4,5-g)isoquinolinium, 6,6'-decamethylenebis(5,6,7,8-tetrahydro-6-methyl-5-(3,4-(methylenedioxy)phenyl)-, diiodide
- IUPAC
- 5-(1,3-benzodioxol-5-yl)-6-[10-[5-(1,3-benzodioxol-5-yl)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-6-yl]decyl]-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium diiodide
Names & synonyms
20232-95-51,3-Dioxolo(4,5-g)isoquinolinium, 6,6'-decamethylenebis(5,6,7,8-tetrahydro-6-methyl-5-(3,4-(methylenedioxy)phenyl)-, diiodideRefChem:1052923
Database identifiers
- CAS
20232-95-5- PubChem CID
- 30072
Properties
Computed structural properties
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 13
- Heavy atoms
- 58
- Formal charge
- 0
- Complexity
- 1,210
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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