Basic information
- CAS
73680-93-0- Standard SMILES
C[N+]12CCCC(CC(OC(=O)C(O)(c3ccccc3)c3cccs3)C1)C2.[Br-]- InChIKey
VFZPNJZREMPLCL-UHFFFAOYSA-M- Molecular formula
- C21H26BrNO3S
- Average molar mass
- 452.4 g/mol
- Monoisotopic mass
- 451.08168
Names & identifiers
- Preferred name
- 1-Azoniabicyclo(3.3.1)nonan-3-ol, 1-methyl-, alpha-phenyl-2-thienylglycolate, bromide
- IUPAC
- (1-methyl-1-azoniabicyclo[3.3.1]nonan-3-yl) 2-hydroxy-2-phenyl-2-thiophen-2-ylacetate bromide
Names & synonyms
1-Azabicyclo(3.3.1)nonanyl phenyl-2-thienylglycolate methobromide73680-93-01-Azoniabicyclo(3.3.1)nonan-3-ol, 1-methyl-, alpha-phenyl-2-thienylglycolate, bromideRefChem:227761DTXSID309945293-{[Hydroxy(phenyl)(thiophen-2-yl)acetyl]oxy}-1-methyl-1-azabicyclo[3.3.1]nonan-1-ium bromide
Database identifiers
- CAS
73680-93-0- PubChem CID
- 52165
- DTXSID
DTXSID30994529
Properties
Computed structural properties
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 523
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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