Basic information
- CAS
16785-30-1- Standard SMILES
COc1cc(C(=O)CCC[NH+]2CCN(c3cccc[nH+]3)CC2)cc(OC)c1OC.[Cl-].[Cl-]- InChIKey
CIWJKMWPLBHARK-UHFFFAOYSA-N- Molecular formula
- C22H31Cl2N3O4
- Average molar mass
- 472.4 g/mol
- Monoisotopic mass
- 471.1691619
Names & identifiers
- Preferred name
- Butyrophenone, 4-(4-(2-pyridyl)piperazinyl)-3',4',5'-trimethoxy-, dihydrochloride
- IUPAC
- 4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-1-(3,4,5-trimethoxyphenyl)butan-1-one dichloride
Names & synonyms
Butyrophenone, 4-(4-(2-pyridyl)piperazinyl)-3',4',5'-trimethoxy-, dihydrochloride16785-30-11-(2-Pyridyl)-4-(3-(3,4,5-trimethoxybenzoyl)propyl)piperazine dihydrochloirde4-(4-(2-Pyridyl)piperazinyl)-3',4',5'-trimethoxybutyrophenone dihydrochloridePiperazine, 1-(2-pyridyl)-4-(3-(3,4,5-trimethoxybenzoyl)propyl)-, dihydrochlorideRefChem:331452
Database identifiers
- CAS
16785-30-1- PubChem CID
- 28074
Properties
Computed structural properties
- Topological polar surface area
- 66.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 484
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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