Isoquinolinium, 2-(3-(pyridinio)propyl)-, dibromide
Basic information
- CAS
64047-60-5- Standard SMILES
[Br-].[Br-].c1cc[n+](CCC[n+]2ccc3ccccc3c2)cc1- InChIKey
LLAFVHXEICRNDX-UHFFFAOYSA-L- Molecular formula
- C17H18Br2N2
- Average molar mass
- 410.1 g/mol
- Monoisotopic mass
- 407.98367
Names & identifiers
- Preferred name
- Isoquinolinium, 2-(3-(pyridinio)propyl)-, dibromide
- IUPAC
- 2-(3-pyridin-1-ium-1-ylpropyl)isoquinolin-2-ium dibromide
Names & synonyms
IN 25764047-60-5ISOQUINOLINIUM, 2-(3-(PYRIDINIO)PROPYL)-, DIBROMIDEPyridinium, 1-(3-(isoquinolinio)propyl)-, dibromideRefChem:350092DTXSID809822342-[3-(Pyridin-1-ium-1-yl)propyl]isoquinolin-2-ium dibromide
Database identifiers
- CAS
64047-60-5- PubChem CID
- 46719
- DTXSID
DTXSID80982234
Properties
Computed structural properties
- Topological polar surface area
- 7.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 260
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Compound notes
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