Basic information
- CAS
64059-46-7- Standard SMILES
C[N+](C)(C)CCC[n+]1cc(Br)c2ccccc2c1.[Br-].[Br-]- InChIKey
IBABVQIIFVJKAG-UHFFFAOYSA-L- Molecular formula
- C15H21Br3N2
- Average molar mass
- 469.1 g/mol
- Monoisotopic mass
- 465.92549
Names & identifiers
- Preferred name
- Isoquinolinium, 4-bromo-2-(3-(trimethylammonio)propyl)-, dibromide
- IUPAC
- 3-(4-bromoisoquinolin-2-ium-2-yl)propyl-trimethylazanium dibromide
Names & synonyms
IN 27064059-46-7ISOQUINOLINIUM, 4-BROMO-2-(3-(TRIMETHYLAMMONIO)PROPYL)-, DIBROMIDEAmmonium, (3-(4-bromoisoquinolinio)propyl)trimethyl-, dibromideRefChem:350106DTXSID809825524-Bromo-2-[3-(trimethylazaniumyl)propyl]isoquinolin-2-ium dibromide
Database identifiers
- CAS
64059-46-7- PubChem CID
- 47251
- DTXSID
DTXSID80982552
Properties
Computed structural properties
- Topological polar surface area
- 3.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 262
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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