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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CN3C(=S)OC(=N3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CN3C(=S)OC(=N3)CC4=CC=CC=C4

InChI

InChI=1S/C21H24N4O2S/c1-26-19-9-7-18(8-10-19)24-13-11-23(12-14-24)16-25-21(28)27-20(22-25)15-17-5-3-2-4-6-17/h2-10H,11-16H2,1H3/p+1