Isoquinolinium, 2-(4-(1-methylpyrrolidinio)butyl)-, dibromide
Basic information
- CAS
64047-56-9- Standard SMILES
C[N+]1(CCCC[n+]2ccc3ccccc3c2)CCCC1.[Br-].[Br-]- InChIKey
ZMRKFJJMIJVTLK-UHFFFAOYSA-L- Molecular formula
- C18H26Br2N2
- Average molar mass
- 430.2 g/mol
- Monoisotopic mass
- 428.04627
Names & identifiers
- Preferred name
- Isoquinolinium, 2-(4-(1-methylpyrrolidinio)butyl)-, dibromide
- IUPAC
- 2-[4-(1-methylpyrrolidin-1-ium-1-yl)butyl]isoquinolin-2-ium dibromide
Names & synonyms
IN 30664047-56-9ISOQUINOLINIUM, 2-(4-(1-METHYLPYRROLIDINIO)BUTYL)-, DIBROMIDEPyrrolidinium, 1-(4-(isoquinolinio)butyl)-1-methyl-, dibromideRefChem:3500952-[4-(1-methylpyrrolidin-1-ium-1-yl)butyl]isoquinolin-2-ium dibromideDTXSID40982230
Database identifiers
- CAS
64047-56-9- PubChem CID
- 46711
- DTXSID
DTXSID40982230
Properties
Computed structural properties
- Topological polar surface area
- 3.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 296
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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