Ethanaminium, 2-((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)-N,N,N-trimethyl-2-oxo-, chloride
Basic information
- CAS
75096-86-5- Standard SMILES
CN(C(=O)C[N+](C)(C)C)C(=O)Oc1cccc2c1OC(C)(C)C2.[Cl-]- InChIKey
PSCBFCRKGHZFKD-UHFFFAOYSA-M- Molecular formula
- C17H25ClN2O4
- Average molar mass
- 356.8 g/mol
- Monoisotopic mass
- 356.150285
Names & identifiers
- Preferred name
- Ethanaminium, 2-((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)-N,N,N-trimethyl-2-oxo-, chloride
- IUPAC
- [2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]-2-oxoethyl]-trimethylazanium chloride
Names & synonyms
Unicarb75096-86-5UC 54229AI3-29783Ethanaminium, 2-((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)-N,N,N-trimethyl-2-oxo-, chlorideRefChem:339909SCHEMBL30110247DTXSID609965912-[{[(2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]carbonyl}(methyl)amino]-N,N,N-trimethyl-2-oxoethan-1-aminium chloride
Database identifiers
- CAS
75096-86-5- PubChem CID
- 93449
- DTXSID
DTXSID60996591
Properties
Computed structural properties
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 470
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Compound notes
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