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

Systemtic Name: 3-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole-2-thione Openeye Name: 3-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-(p-tolyl)-1,3,4-oxadiazole-2-thione CAS Name: 3-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole-2-thione IUPAC Name: 3-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole-2-thione Traditional Name: 3-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-(p-tolyl)-1,3,4-oxadiazole-2-thione Formula: C21H25N4O2S+ MolecularWeight: 397.5138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=S)O2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=S)O2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H24N4O2S/c1-16-3-5-17(6-4-16)20-22-25(21(28)27-20)15-23-11-13-24(14-12-23)18-7-9-19(26-2)10-8-18/h3-10H,11-15H2,1-2H3/p+1