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

Systemtic Name: 3-phenyl-5-[[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 3-phenyl-5-[[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-phenyl-5-[[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-phenyl-5-[[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 3-phenyl-5-[[4-(2-thenyl)piperazine-1,4-diium-1-yl]methyl]-1,2,4-oxadiazole Formula: C18H22N4OS+2 MolecularWeight: 342.45848

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CS2)CC3=NC(=NO3)C4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CS2)CC3=NC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C18H20N4OS/c1-2-5-15(6-3-1)18-19-17(23-20-18)14-22-10-8-21(9-11-22)13-16-7-4-12-24-16/h1-7,12H,8-11,13-14H2/p+2