3-phenyl-5-[[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole

Systemtic Name: 3-phenyl-5-[[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 5-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole CAS Name: 3-phenyl-5-[[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 5-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole Traditional Name: 5-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-3-phenyl-1,2,4-oxadiazole Formula: C20H23N4O3S+ MolecularWeight: 399.48662

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CC=C3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CC=C3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C20H22N4O3S/c25-28(26,16-17-7-3-1-4-8-17)24-13-11-23(12-14-24)15-19-21-20(22-27-19)18-9-5-2-6-10-18/h1-10H,11-16H2/p+1