1,3-Dioxolo(4,5-g)isoquinolinium, 6-ethyl-4-methoxy-, bromide
Basic information
- CAS
15248-43-8- Standard SMILES
CC[n+]1ccc2cc3c(c(OC)c2c1)OCO3.[Br-]- InChIKey
VAKHCRLGGIOBOS-UHFFFAOYSA-M- Molecular formula
- C13H14BrNO3
- Average molar mass
- 312.16 g/mol
- Monoisotopic mass
- 311.01571
Names & identifiers
- Preferred name
- 1,3-Dioxolo(4,5-g)isoquinolinium, 6-ethyl-4-methoxy-, bromide
- IUPAC
- 6-ethyl-4-methoxy-[1,3]dioxolo[4,5-g]isoquinolin-6-ium bromide
Names & synonyms
6-Ethyl-4-methoxy-1,3-dioxolo(4,5-g)isoquinolinium bromide15248-43-81,3-DIOXOLO(4,5-g)ISOQUINOLINIUM, 6-ETHYL-4-METHOXY-, BROMIDERefChem:219049DTXSID80934511(6-Ethyl-2H-[1,3]dioxolo[4,5-g]isoquinolin-4(6H)-ylidene)(methyl)oxidanium bromide
Database identifiers
- CAS
15248-43-8- PubChem CID
- 27150
- DTXSID
DTXSID80934511
Properties
Computed structural properties
- Topological polar surface area
- 31.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 273
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Compound notes
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