Basic information
- Standard SMILES
CC[N+]1(C)C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12- InChIKey
NVOYVOBDTVTBDX-UHFFFAOYSA-N- Molecular formula
- C19H26NO4+
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.18618331
Names & identifiers
- Preferred name
- 9-Ethyl-7-[(3-hydroxy-2-phenylpropanoyl)oxy]-9-methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-9-ium
- IUPAC
- (9-ethyl-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl) 3-hydroxy-2-phenylpropanoate
Names & synonyms
SCHEMBL3312795DTXSID40860448NS000093949-Ethyl-7-[(3-hydroxy-2-phenylpropanoyl)oxy]-9-methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-9-ium
Database identifiers
- PubChem CID
- 4627
- DTXSID
DTXSID40860448- Nikkaji
- J361.773D
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 1
- Complexity
- 472
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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