Basic information
- CAS
96616-41-0- Standard SMILES
CC[N+](CC)(CC)Cc1c2ccoc2c(OC)c2oc(=O)ccc12.[Cl-]- InChIKey
BAMFJGIOJAXVBP-UHFFFAOYSA-M- Molecular formula
- C19H24ClNO4
- Average molar mass
- 365.8 g/mol
- Monoisotopic mass
- 365.1393859
Names & identifiers
- Preferred name
- N,N,N-Triethyl-9-methoxy-7-oxo-7H-furo(3,2-g)(1)benzopyran-4-methanaminium chloride
- IUPAC
- triethyl-[(9-methoxy-7-oxofuro[3,2-g]chromen-4-yl)methyl]azanium chloride
Names & synonyms
96616-41-0N,N,N-Triethyl-9-methoxy-7-oxo-7H-furo(3,2-g)(1)benzopyran-4-methanaminium chlorideCHEMBL6797DTXSID509144217H-Furo(3,2-g)(1)benzopyran-4-methanaminium, N,N,N-triethyl-9-methoxy-7-oxo-, chlorideN,N-Diethyl-N-[(9-methoxy-7-oxo-7H-furo[3,2-g][1]benzopyran-4-yl)methyl]ethanaminium chloride
Database identifiers
- CAS
96616-41-0- PubChem CID
- 150435
- DTXSID
DTXSID50914421- ChEMBL
CHEMBL6797
Properties
Computed structural properties
- Topological polar surface area
- 48.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 479
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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