Isoquinolinium, 1,2,3,4-tetrahydro-2-methyl-2-(3-(1-methylpyrrolidinio)propyl)-, dibromide
Basic information
- CAS
64047-66-1- Standard SMILES
C[N+]1(CCC[N+]2(C)CCc3ccccc3C2)CCCC1.[Br-].[Br-]- InChIKey
NESMARWNWRENBF-UHFFFAOYSA-L- Molecular formula
- C18H30Br2N2
- Average molar mass
- 434.3 g/mol
- Monoisotopic mass
- 432.07757
Names & identifiers
- Preferred name
- Isoquinolinium, 1,2,3,4-tetrahydro-2-methyl-2-(3-(1-methylpyrrolidinio)propyl)-, dibromide
- IUPAC
- 2-methyl-2-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]-3,4-dihydro-1H-isoquinolin-2-ium dibromide
Names & synonyms
IN 29864047-66-1Isoquinolinium, 1,2,3,4-tetrahydro-2-methyl-2-(3-(1-methylpyrrolidinio)propyl)-, dibromidePyrrolidinium, 1-methyl-1-(3-(2-methyl-1,2,3,4-tetrahydroisoquinolinio)propyl)-, dibromideRefChem:350082DTXSID209822382-Methyl-2-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]-1,2,3,4-tetrahydroisoquinolin-2-ium dibromide
Database identifiers
- CAS
64047-66-1- PubChem CID
- 46727
- DTXSID
DTXSID20982238
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…