Basic information
- CAS
15248-44-9- Standard SMILES
CCCC[n+]1ccc2cc3c(c(OC)c2c1)OCO3.[Br-]- InChIKey
RSAVLGQIZRFZJS-UHFFFAOYSA-M- Molecular formula
- C15H18BrNO3
- Average molar mass
- 340.21 g/mol
- Monoisotopic mass
- 339.04701
Names & identifiers
- Preferred name
- 1,3-Dioxolo(4,5-g)isoquinolinium, 6-butyl-4-methoxy-, bromide
- IUPAC
- 6-butyl-4-methoxy-[1,3]dioxolo[4,5-g]isoquinolin-6-ium bromide
Names & synonyms
6-Butyl-4-methoxy-1,3-dioxolo(4,5-g)isoquinolinium bromide15248-44-91,3-DIOXOLO(4,5-g)ISOQUINOLINIUM, 6-BUTYL-4-METHOXY-, BROMIDERefChem:219048DTXSID40934512(6-Butyl-2H-[1,3]dioxolo[4,5-g]isoquinolin-4(6H)-ylidene)(methyl)oxidanium bromide
Database identifiers
- CAS
15248-44-9- PubChem CID
- 27152
- DTXSID
DTXSID40934512
Properties
Computed structural properties
- Topological polar surface area
- 31.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 299
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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