Basic information
- CAS
64059-44-5- Standard SMILES
C[N+]1(CCC[n+]2ccc3ccccc3c2)CCOCC1.[Br-].[Br-]- InChIKey
SVSWMJWPWQDOBP-UHFFFAOYSA-L- Molecular formula
- C17H24Br2N2O
- Average molar mass
- 432.2 g/mol
- Monoisotopic mass
- 430.02554
Names & identifiers
- Preferred name
- Isoquinolinium, 2-(3-(4-methylmorpholino)propyl)-, dibromide
- IUPAC
- 4-(3-isoquinolin-2-ium-2-ylpropyl)-4-methylmorpholin-4-ium dibromide
Names & synonyms
IN 26564059-44-5ISOQUINOLINIUM, 2-(3-(4-METHYLMORPHOLINO)PROPYL)-, DIBROMIDEMorpholinium, 4-(3-(isoquinolinio)propyl)-4-methyl-, dibromideRefChem:350090DTXSID609825502-[3-(4-Methylmorpholin-4-ium-4-yl)propyl]isoquinolin-2-ium dibromide
Database identifiers
- CAS
64059-44-5- PubChem CID
- 47247
- DTXSID
DTXSID60982550
Properties
Computed structural properties
- Topological polar surface area
- 13.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 301
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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