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

Systemtic Name: 3-[[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole-2-thione Openeye Name: 3-[[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole-2-thione CAS Name: 3-[[4-[(4-chlorophenyl)methyl]-1-piperazin-1-iumyl]methyl]-5-phenyl-1,3,4-oxadiazole-2-thione IUPAC Name: 3-[[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole-2-thione Traditional Name: 3-[[4-(4-chlorobenzyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole-2-thione Formula: C20H22ClN4OS+ MolecularWeight: 401.93288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4OS/c21-18-8-6-16(7-9-18)14-23-10-12-24(13-11-23)15-25-20(27)26-19(22-25)17-4-2-1-3-5-17/h1-9H,10-15H2/p+1