3-butyl-5-[[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole

Systemtic Name: 3-butyl-5-[[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 3-butyl-5-[[4-(4-chloro-2-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-butyl-5-[[4-(4-chloro-2-nitrophenyl)-1-piperazin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-butyl-5-[[4-(4-chloro-2-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 3-butyl-5-[[4-(4-chloro-2-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Formula: C17H23ClN5O3+ MolecularWeight: 380.84922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NOC(=N1)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=NOC(=N1)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H22ClN5O3/c1-2-3-4-16-19-17(26-20-16)12-21-7-9-22(10-8-21)14-6-5-13(18)11-15(14)23(24)25/h5-6,11H,2-4,7-10,12H2,1H3/p+1