1,3-Dioxolo(4,5-g)isoquinolinium, 8-(acetyloxy)-5,6,7,8-tetrahydro-6,6-dimethyl-, iodide
Basic information
- CAS
69259-69-4- Standard SMILES
CC(=O)OC1C[N+](C)(C)Cc2cc3c(cc21)OCO3.[I-]- InChIKey
QTQNQMVDXMBGMZ-UHFFFAOYSA-M- Molecular formula
- C14H18INO4
- Average molar mass
- 391.2 g/mol
- Monoisotopic mass
- 391.02806
Names & identifiers
- Preferred name
- 1,3-Dioxolo(4,5-g)isoquinolinium, 8-(acetyloxy)-5,6,7,8-tetrahydro-6,6-dimethyl-, iodide
- IUPAC
- (6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-8-yl) acetate iodide
Names & synonyms
69259-69-41,3-Dioxolo(4,5-g)isoquinolinium, 8-(acetyloxy)-5,6,7,8-tetrahydro-6,6-dimethyl-, iodideSCHEMBL431707DTXSID709889828-(Acetyloxy)-6,6-dimethyl-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium iodide
Database identifiers
- CAS
69259-69-4- PubChem CID
- 155272
- DTXSID
DTXSID70988982
Properties
Computed structural properties
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 370
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Compound notes
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