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

Systemtic Name: 3-(4-ethylphenyl)-5-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 3-(4-ethylphenyl)-5-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-(4-ethylphenyl)-5-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-(4-ethylphenyl)-5-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 3-(4-ethylphenyl)-5-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Formula: C21H24N5O3+ MolecularWeight: 394.44696

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NOC(=N2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NOC(=N2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O3/c1-2-16-3-5-17(6-4-16)21-22-20(29-23-21)15-24-11-13-25(14-12-24)18-7-9-19(10-8-18)26(27)28/h3-10H,2,11-15H2,1H3/p+1