Basic information
- CAS
96616-53-4- Standard SMILES
C[N+](C)(C)CCCOc1c2occc2cc2ccc(=O)oc12.[Br-]- InChIKey
YYCHDGRSPIRTRZ-UHFFFAOYSA-M- Molecular formula
- C17H20BrNO4
- Average molar mass
- 382.2 g/mol
- Monoisotopic mass
- 381.05757
Names & identifiers
- Preferred name
- N,N,N-Trimethyl-3-((7-oxo-7H-furo(3,2-g)(1)benzopyran-9-yl)oxy)-1-propanaminium bromide
- IUPAC
- trimethyl-[3-(7-oxofuro[3,2-g]chromen-9-yl)oxypropyl]azanium bromide
Names & synonyms
N,N,N-Trimethyl-3-((7-oxo-7H-furo(3,2-g)(1)benzopyran-9-yl)oxy)-1-propanaminium bromide96616-53-41-Propanaminium, N,N,N-trimethyl-3-((7-oxo-7H-furo(3,2-g)(1)benzopyran-9-yl)oxy)-, bromideCHEMBL268832DTXSID90914420N,N,N-Trimethyl-3-[(7-oxo-7H-furo[3,2-g][1]benzopyran-9-yl)oxy]propan-1-aminium bromide
Database identifiers
- CAS
96616-53-4- PubChem CID
- 150449
- DTXSID
DTXSID90914420- ChEMBL
CHEMBL268832
Properties
Computed structural properties
- Topological polar surface area
- 48.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 442
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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