5-(2-methylpropyl)-3-[[4-(6-nitropyridin-3-yl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole

Systemtic Name: 5-(2-methylpropyl)-3-[[4-(6-nitropyridin-3-yl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 5-isobutyl-3-[[4-(6-nitro-3-pyridyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 5-(2-methylpropyl)-3-[[4-(6-nitro-3-pyridinyl)-1-piperazin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 5-(2-methylpropyl)-3-[[4-(6-nitropyridin-3-yl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 5-isobutyl-3-[[4-(6-nitro-3-pyridyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Formula: C16H23N6O3+ MolecularWeight: 347.39222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC(=NO1)C[NH+]2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC1=NC(=NO1)C[NH+]2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H22N6O3/c1-12(2)9-16-18-14(19-25-16)11-20-5-7-21(8-6-20)13-3-4-15(17-10-13)22(23)24/h3-4,10,12H,5-9,11H2,1-2H3/p+1