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

Systemtic Name: 3-(2-methylpropyl)-5-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 3-isobutyl-5-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-(2-methylpropyl)-5-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-(2-methylpropyl)-5-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 3-isobutyl-5-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Formula: C17H24N5O3+ MolecularWeight: 346.40416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NOC(=N1)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC1=NOC(=N1)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H23N5O3/c1-13(2)11-16-18-17(25-19-16)12-20-7-9-21(10-8-20)14-3-5-15(6-4-14)22(23)24/h3-6,13H,7-12H2,1-2H3/p+1