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Basic information
- Standard SMILES
CC(=O)OCC[N+]1(C)CC[N+](C)(CCOC(C)=O)CC1- InChIKey
DROFEMZRMHVQEO-UHFFFAOYSA-N- Molecular formula
- C14H28N2O4+2
- Average molar mass
- 288.38 g/mol
- Monoisotopic mass
- 288.20490738
Names & identifiers
- Preferred name
- 2-[4-(2-Acetyloxyethyl)-1,4-dimethylpiperazine-1,4-diium-1-yl]ethyl acetate
- IUPAC
- 2-[4-(2-acetyloxyethyl)-1,4-dimethylpiperazine-1,4-diium-1-yl]ethyl acetate
Database identifiers
- PubChem CID
- 218059
Properties
Computed structural propertiesFilling in
- XLogP
- -0.1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 2
- Complexity
- 315
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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