Basic information
- CAS
64059-45-6- Standard SMILES
C[NH+](C)CCC[n+]1ccc2ccccc2c1.[Br-].[Cl-]- InChIKey
OIMCRYGRGHXRHC-UHFFFAOYSA-M- Molecular formula
- C14H20BrClN2
- Average molar mass
- 331.68 g/mol
- Monoisotopic mass
- 330.04984
Names & identifiers
- Preferred name
- Isoquinolinium, 2-(3-(dimethylamino)propyl)-, bromide, hydrochloride
- IUPAC
- 3-isoquinolin-2-ium-2-ylpropyl(dimethyl)azanium;bromide;chloride
Names & synonyms
IN 32264059-45-6ISOQUINOLINIUM, 2-(3-(DIMETHYLAMINO)PROPYL)-, BROMIDE, HYDROCHLORIDERefChem:350091
Database identifiers
- CAS
64059-45-6- PubChem CID
- 47249
Properties
Computed structural properties
- Topological polar surface area
- 8.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 203
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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