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

Systemtic Name: 3-butyl-5-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 3-butyl-5-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-butyl-5-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-butyl-5-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 3-butyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N5O3/c1-2-3-4-16-18-17(25-19-16)13-20-9-11-21(12-10-20)14-5-7-15(8-6-14)22(23)24/h5-8H,2-4,9-13H2,1H3/p+1