6,7-Dimethoxy-2-pentylisoquinolin-2-ium bromide
Basic information
- CAS
15248-38-1- Standard SMILES
CCCCC[n+]1ccc2cc(OC)c(OC)cc2c1.[Br-]- InChIKey
JGBPSBBTVRXDFY-UHFFFAOYSA-M- Molecular formula
- C16H22BrNO2
- Average molar mass
- 340.25 g/mol
- Monoisotopic mass
- 339.08339
Names & identifiers
- Preferred name
- 6,7-Dimethoxy-2-pentylisoquinolin-2-ium bromide
- IUPAC
- 6,7-dimethoxy-2-pentylisoquinolin-2-ium bromide
Names & synonyms
15248-38-1DTXSID209345106,7-dimethoxy-2-pentylisoquinolin-2-ium bromideRefChem:1073607DTXCID1013631576,7-Dimethoxy-2-pentylisoquinolinium bromideISOQUINOLINIUM, 6,7-DIMETHOXY-2-PENTYL-, BROMIDE
Database identifiers
- CAS
15248-38-1- PubChem CID
- 27148
- DTXSID
DTXSID20934510
Properties
Computed structural properties
- Topological polar surface area
- 22.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 259
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Compound notes
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