Basic information
- CAS
1219532-34-9- Standard SMILES
C[N+]1([O-])C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12- InChIKey
GSYQNAMOFFWAPF-UHFFFAOYSA-N- Molecular formula
- C17H21NO5
- Average molar mass
- 319.4 g/mol
- Monoisotopic mass
- 319.14197277
Names & identifiers
- Preferred name
- 9-Methyl-9-oxido-3-oxa-9-azatricyclo[3.3.1.0~2,4~]non-7-yl 3-hydroxy-2-phenylpropanoate
- IUPAC
- (9-methyl-9-oxido-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl) 3-hydroxy-2-phenylpropanoate
Names & synonyms
9-methyl-9-oxido-3-oxa-9-azatricyclo[3.3.1.0~2,4~]non-7-yl 3-hydroxy-2-phenylpropanoate1219532-34-9(9-methyl-9-oxido-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl) 3-hydroxy-2-phenylpropanoate7-((3-Hydroxy-2-phenylpropanoyl)oxy)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonane 9-oxidehyoscine-N-oxideNSC61807SCHEMBL221059DTXSID201338440AKOS030254839NS000788069-hydroxy-9-methyl-3-oxa-95-azatricyclo[3.3.1.0~2,4~]non-7-yl tropate9-Methyl-9-oxido-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl tropate
Database identifiers
- CAS
1219532-34-9- PubChem CID
- 1258
- DTXSID
DTXSID201338440
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 77.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 460
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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