5-phenyl-3-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]-1,3,4-oxadiazole-2-thione

Systemtic Name: 5-phenyl-3-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]-1,3,4-oxadiazole-2-thione Openeye Name: 3-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole-2-thione CAS Name: 5-phenyl-3-[[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 3-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole-2-thione Traditional Name: 3-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole-2-thione Formula: C20H24N4OS+2 MolecularWeight: 368.49576

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CN3C(=S)OC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CN3C(=S)OC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C20H22N4OS/c26-20-24(21-19(25-20)18-9-5-2-6-10-18)16-23-13-11-22(12-14-23)15-17-7-3-1-4-8-17/h1-10H,11-16H2/p+2