Basic information
- CAS
64047-67-2- Standard SMILES
C[N+](C)(C)CCC[N+]1(C)CCc2ccccc2C1.[Br-].[Br-]- InChIKey
ZHRWFZMWXXRCDX-UHFFFAOYSA-L- Molecular formula
- C16H28Br2N2
- Average molar mass
- 408.2 g/mol
- Monoisotopic mass
- 406.06192
Names & identifiers
- Preferred name
- Isoquinolinium, 1,2,3,4-tetrahydro-2-methyl-2-(3-(trimethylammonio)propyl)-, dibromide
- IUPAC
- trimethyl-[3-(2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)propyl]azanium dibromide
Names & synonyms
IN 24364047-67-2Ammonium, (3-(2-methyl-1,2,3,4-tetrahydroisoquinolinio)propyl)trimethyl-, dibromideIsoquinolinium, 1,2,3,4-tetrahydro-2-methyl-2-(3-(trimethylammonio)propyl)-, dibromideRefChem:350083DTXSID809822392-Methyl-2-[3-(trimethylazaniumyl)propyl]-1,2,3,4-tetrahydroisoquinolin-2-ium dibromide
Database identifiers
- CAS
64047-67-2- PubChem CID
- 46729
- DTXSID
DTXSID80982239
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 269
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…