Basic information
- CAS
96616-56-7- Standard SMILES
COc1c2occc2c(COCCC[N+](C)(C)C)c2ccc(=O)oc12.[Br-]- InChIKey
SKTSZSCUJGHYBI-UHFFFAOYSA-M- Molecular formula
- C19H24BrNO5
- Average molar mass
- 426.3 g/mol
- Monoisotopic mass
- 425.08379
Names & identifiers
- Preferred name
- 3-((9-Methoxy-7-oxo-7H-furo(3,2-g)(1)benzopyran-4-yl)methoxy)-N,N,N-trimethyl-1-propanaminium bromide
- IUPAC
- 3-[(9-methoxy-7-oxofuro[3,2-g]chromen-4-yl)methoxy]propyl-trimethylazanium bromide
Names & synonyms
96616-56-7CHEMBL69453-((9-Methoxy-7-oxo-7H-furo(3,2-g)(1)benzopyran-4-yl)methoxy)-N,N,N-trimethyl-1-propanaminium bromideDTXSID809144191-Propanaminium, 3-((9-methoxy-7-oxo-7H-furo(3,2-g)(1)benzopyran-4-yl)methoxy)-N,N,N-trimethyl-, bromide3-[(9-Methoxy-7-oxo-7H-furo[3,2-g][1]benzopyran-4-yl)methoxy]-N,N,N-trimethylpropan-1-aminium bromide
Database identifiers
- CAS
96616-56-7- PubChem CID
- 150451
- DTXSID
DTXSID80914419- ChEMBL
CHEMBL6945
Properties
Computed structural properties
- Topological polar surface area
- 57.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…