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

Systemtic Name: 3-(4-methylphenyl)-5-[[4-(5-nitroquinolin-6-yl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 5-[[4-(5-nitro-6-quinolyl)piperazin-1-ium-1-yl]methyl]-3-(p-tolyl)-1,2,4-oxadiazole CAS Name: 3-(4-methylphenyl)-5-[[4-(5-nitro-6-quinolinyl)-1-piperazin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-(4-methylphenyl)-5-[[4-(5-nitroquinolin-6-yl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 5-[[4-(5-nitro-6-quinolyl)piperazin-1-ium-1-yl]methyl]-3-(p-tolyl)-1,2,4-oxadiazole Formula: C23H23N6O3+ MolecularWeight: 431.46712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=N2)C[NH+]3CCN(CC3)C4=C(C5=C(C=C4)N=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=N2)C[NH+]3CCN(CC3)C4=C(C5=C(C=C4)N=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H22N6O3/c1-16-4-6-17(7-5-16)23-25-21(32-26-23)15-27-11-13-28(14-12-27)20-9-8-19-18(3-2-10-24-19)22(20)29(30)31/h2-10H,11-15H2,1H3/p+1