4-Amino-3-(4-benzylpiperazin-1-yl)-5-methyl-3H-1,2,3-oxadiazol-1-ium chloride--hydrogen chloride (1/1/1)
Basic information
- CAS
24796-55-2- Standard SMILES
Cc1on[n+](N2CCN(Cc3ccccc3)CC2)c1N.Cl.[Cl-]- InChIKey
VGIJORPIPURCDU-UHFFFAOYSA-M- Molecular formula
- C14H21Cl2N5O
- Average molar mass
- 346.3 g/mol
- Monoisotopic mass
- 345.1123157
Names & identifiers
- Preferred name
- 4-Amino-3-(4-benzylpiperazin-1-yl)-5-methyl-3H-1,2,3-oxadiazol-1-ium chloride--hydrogen chloride (1/1/1)
- IUPAC
- 3-(4-benzylpiperazin-1-yl)-5-methyloxadiazol-3-ium-4-amine;chloride;hydrochloride
Names & synonyms
24796-55-2DTXSID609477054-Amino-3-(4-benzylpiperazin-1-yl)-5-methyl-3H-1,2,3-oxadiazol-1-ium chloride--hydrogen chloride (1/1/1)RefChem:1070257DTXCID3013759623-(4-Benzyl-1-piperazinyl)-4-methylsydnone imine dihydrochlorideSydnone imine, 3-(4-benzyl-1-piperazinyl)-4-methyl-, dihydrochloride
Database identifiers
- CAS
24796-55-2- PubChem CID
- 212730
- DTXSID
DTXSID60947705
Properties
Computed structural properties
- Topological polar surface area
- 62.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 302
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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