4-Amino-3-(4-benzylpiperazin-1-yl)-3H-1,2,3-oxadiazol-1-ium chloride--hydrogen chloride (1/1/1)
Basic information
- CAS
24796-54-1- Standard SMILES
Cl.Nc1con[n+]1N1CCN(Cc2ccccc2)CC1.[Cl-]- InChIKey
HVBBQCCBTRSUMZ-UHFFFAOYSA-M- Molecular formula
- C13H19Cl2N5O
- Average molar mass
- 332.2 g/mol
- Monoisotopic mass
- 331.0966656
Names & identifiers
- Preferred name
- 4-Amino-3-(4-benzylpiperazin-1-yl)-3H-1,2,3-oxadiazol-1-ium chloride--hydrogen chloride (1/1/1)
- IUPAC
- 3-(4-benzylpiperazin-1-yl)oxadiazol-3-ium-4-amine;chloride;hydrochloride
Names & synonyms
24796-54-1DTXSID009477044-Amino-3-(4-benzylpiperazin-1-yl)-3H-1,2,3-oxadiazol-1-ium chloride--hydrogen chloride (1/1/1)RefChem:1070256DTXCID6013759613-(4-Benzyl-1-piperazinyl)sydnone imine dihydrochlorideSydnone imine, 3-(4-benzyl-1-piperazinyl)-, dihydrochloride
Database identifiers
- CAS
24796-54-1- PubChem CID
- 212728
- DTXSID
DTXSID00947704
Properties
Computed structural properties
- Topological polar surface area
- 62.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 276
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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