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

Systemtic Name: 3-phenyl-5-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 3-phenyl-5-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-phenyl-5-[[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-phenyl-5-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 3-phenyl-5-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Formula: C21H23N4O3S+ MolecularWeight: 411.49732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3S/c26-29(27,16-11-18-7-3-1-4-8-18)25-14-12-24(13-15-25)17-20-22-21(23-28-20)19-9-5-2-6-10-19/h1-11,16H,12-15,17H2/p+1/b16-11+