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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CN3C(=S)OC(=N3)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CN3C(=S)OC(=N3)C4=CC=CC=C4

InChI

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