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

Systemtic Name: 3-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole-2-thione Openeye Name: 3-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole-2-thione CAS Name: 3-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-5-phenyl-1,3,4-oxadiazole-2-thione IUPAC Name: 3-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole-2-thione Traditional Name: 3-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole-2-thione Formula: C20H23N4O2S+ MolecularWeight: 383.48722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O2S/c1-25-18-9-7-17(8-10-18)23-13-11-22(12-14-23)15-24-20(27)26-19(21-24)16-5-3-2-4-6-16/h2-10H,11-15H2,1H3/p+1