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

Systemtic Name: 5-(4-methylphenyl)-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-5-(p-tolyl)-1,2,4-oxadiazole CAS Name: 5-(4-methylphenyl)-3-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 5-(4-methylphenyl)-3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-5-(p-tolyl)-1,2,4-oxadiazole Formula: C20H22N5O3+ MolecularWeight: 380.42038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NO2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NO2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O3/c1-15-2-4-16(5-3-15)20-21-19(22-28-20)14-23-10-12-24(13-11-23)17-6-8-18(9-7-17)25(26)27/h2-9H,10-14H2,1H3/p+1