Basic information
- CAS
5093-58-3- Standard SMILES
COc1ccc(N2CC[N+](C)(C)CC2)c(OC)c1OC- InChIKey
PLXGGBKYBLUMRV-UHFFFAOYSA-N- Molecular formula
- C15H25N2O3+
- Average molar mass
- 281.37 g/mol
- Monoisotopic mass
- 281.18651766
Names & identifiers
- Preferred name
- 1,1-Dimethyl-4-(2,3,4-trimethoxyphenyl)piperazin-1-ium
- IUPAC
- 1,1-dimethyl-4-(2,3,4-trimethoxyphenyl)piperazin-1-ium
Names & synonyms
5093-58-31,1-dimethyl-4-(2,3,4-trimethoxyphenyl)piperazin-1-iumDTXSID60329128
Database identifiers
- CAS
5093-58-3- PubChem CID
- 417595
- DTXSID
DTXSID60329128
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 30.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 1
- Complexity
- 301
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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