4-Amino-3-(4-benzyl-2-phenylpiperazin-1-yl)-3H-1,2,3-oxadiazol-1-ium chloride--hydrogen chloride (1/1/1)
Basic information
- CAS
24796-57-4- Standard SMILES
Cl.Nc1con[n+]1N1CCN(Cc2ccccc2)CC1c1ccccc1.[Cl-]- InChIKey
FQBUFTNJUDGKEC-UHFFFAOYSA-M- Molecular formula
- C19H23Cl2N5O
- Average molar mass
- 408.3 g/mol
- Monoisotopic mass
- 407.1279658
Names & identifiers
- Preferred name
- 4-Amino-3-(4-benzyl-2-phenylpiperazin-1-yl)-3H-1,2,3-oxadiazol-1-ium chloride--hydrogen chloride (1/1/1)
- IUPAC
- 3-(4-benzyl-2-phenylpiperazin-1-yl)oxadiazol-3-ium-4-amine;chloride;hydrochloride
Names & synonyms
24796-57-4DTXSID209477064-Amino-3-(4-benzyl-2-phenylpiperazin-1-yl)-3H-1,2,3-oxadiazol-1-ium chloride--hydrogen chloride (1/1/1)RefChem:1070255DTXCID0013759633-(4-Benzyl-3-phenyl-1-piperazinyl)sydnone imine dihydrochloride hydrateSydnone imine, 3-(4-benzyl-3-phenyl-1-piperazinyl)-, hydrochloride, hydrate (2:4:3)
Database identifiers
- CAS
24796-57-4- PubChem CID
- 212732
- DTXSID
DTXSID20947706
Properties
Computed structural properties
- Topological polar surface area
- 62.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 411
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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