Basic information
- CAS
64047-70-7- Standard SMILES
C[N+](C)(C)CCCCC[n+]1ccc2ccccc2c1.[Br-].[Br-]- InChIKey
UPQHUJSVEOJFCA-UHFFFAOYSA-L- Molecular formula
- C17H26Br2N2
- Average molar mass
- 418.2 g/mol
- Monoisotopic mass
- 416.04627
Names & identifiers
- Preferred name
- Isoquinolinium, 2-(5-(trimethylammonio)pentyl)-, dibromide
- IUPAC
- 5-isoquinolin-2-ium-2-ylpentyl(trimethyl)azanium dibromide
Names & synonyms
IN 25164047-70-7ISOQUINOLINIUM, 2-(5-(TRIMETHYLAMMONIO)PENTYL)-, DIBROMIDEAmmonium, (5-(isoquinolinio)pentyl)trimethyl-, dibromideRefChem:350096DTXSID509822412-[5-(Trimethylazaniumyl)pentyl]isoquinolin-2-ium dibromide
Database identifiers
- CAS
64047-70-7- PubChem CID
- 46735
- DTXSID
DTXSID50982241
Properties
Computed structural properties
- Topological polar surface area
- 3.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 256
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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