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

Systemtic Name: 3-(2-methylphenyl)-5-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 3-(o-tolyl)-5-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-(2-methylphenyl)-5-[[4-(2-methylphenyl)-1-piperazin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-(2-methylphenyl)-5-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 3-(o-tolyl)-5-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Formula: C21H25N4O+ MolecularWeight: 349.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NOC(=N2)C[NH+]3CCN(CC3)C4=CC=CC=C4C

Isomeric SMILES

CC1=CC=CC=C1C2=NOC(=N2)C[NH+]3CCN(CC3)C4=CC=CC=C4C

InChI

InChI=1S/C21H24N4O/c1-16-7-3-5-9-18(16)21-22-20(26-23-21)15-24-11-13-25(14-12-24)19-10-6-4-8-17(19)2/h3-10H,11-15H2,1-2H3/p+1