Isoquinolinium, 2-(3-(1-methylpyrrolidinio)propyl)-, dibromide
Basic information
- CAS
64047-57-0- Standard SMILES
C[N+]1(CCC[n+]2ccc3ccccc3c2)CCCC1.[Br-].[Br-]- InChIKey
OUFWPBPWBBMQCV-UHFFFAOYSA-L- Molecular formula
- C17H24Br2N2
- Average molar mass
- 416.2 g/mol
- Monoisotopic mass
- 414.03062
Names & identifiers
- Preferred name
- Isoquinolinium, 2-(3-(1-methylpyrrolidinio)propyl)-, dibromide
- IUPAC
- 2-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]isoquinolin-2-ium dibromide
Names & synonyms
IN 23964047-57-0ISOQUINOLINIUM, 2-(3-(1-METHYLPYRROLIDINIO)PROPYL)-, DIBROMIDEPyrrolidinium, 1-(3-(isoquinolinio)propyl)-1-methyl-, dibromideRefChem:3500892-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]isoquinolin-2-ium dibromideDTXSID00982231
Database identifiers
- CAS
64047-57-0- PubChem CID
- 46713
- DTXSID
DTXSID00982231
Properties
Computed structural properties
- Topological polar surface area
- 3.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 283
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Compound notes
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