Basic information
- CAS
96616-39-6- Standard SMILES
COc1c2occc2c(C[N+](C)(C)C)c2ccc(=O)oc12.[Cl-]- InChIKey
YPTFGKOPDLNCLQ-UHFFFAOYSA-M- Molecular formula
- C16H18ClNO4
- Average molar mass
- 323.77 g/mol
- Monoisotopic mass
- 323.0924357
Names & identifiers
- Preferred name
- Ammonium, ((9-methoxy-7-oxo-7H-furo(3,2-g)(1)benzopyran-4-yl)methyl)trimethyl-, chloride
- IUPAC
- (9-methoxy-7-oxofuro[3,2-g]chromen-4-yl)methyl-trimethylazanium chloride
Names & synonyms
((9-Methoxy-7-oxo-7H-furo(3,2-g)(1)benzopyran-4-yl)methyl)trimethylammonium chloride96616-39-6Ammonium, ((9-methoxy-7-oxo-7H-furo(3,2-g)(1)benzopyran-4-yl)methyl)trimethyl-, chlorideRefChem:318665CHEMBL266318DTXSID10914422(9-Methoxy-7-oxo-7H-furo[3,2-g][1]benzopyran-4-yl)-N,N,N-trimethylmethanaminium chloride
Database identifiers
- CAS
96616-39-6- PubChem CID
- 150433
- DTXSID
DTXSID10914422- ChEMBL
CHEMBL266318
Properties
Computed structural properties
- Topological polar surface area
- 48.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 442
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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