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

Systemtic Name: 3-[[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazole-2-thione Openeye Name: 3-[[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-5-(2-thienyl)-1,3,4-oxadiazole-2-thione CAS Name: 3-[[4-[(4-chlorophenyl)methyl]-1-piperazin-1-iumyl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazole-2-thione IUPAC Name: 3-[[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazole-2-thione Traditional Name: 3-[[4-(4-chlorobenzyl)piperazin-1-ium-1-yl]methyl]-5-(2-thienyl)-1,3,4-oxadiazole-2-thione Formula: C18H20ClN4OS2+ MolecularWeight: 407.9606

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=S)OC(=N2)C3=CC=CS3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=S)OC(=N2)C3=CC=CS3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C18H19ClN4OS2/c19-15-5-3-14(4-6-15)12-21-7-9-22(10-8-21)13-23-18(25)24-17(20-23)16-2-1-11-26-16/h1-6,11H,7-10,12-13H2/p+1