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

Systemtic Name: 5-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole Openeye Name: 5-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole CAS Name: 5-[[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-3-phenyl-1,2,4-oxadiazole IUPAC Name: 5-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole Traditional Name: 5-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole Formula: C21H25N4O3S+ MolecularWeight: 413.5132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NC(=NO3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NC(=NO3)C4=CC=CC=C4)C

InChI

InChI=1S/C21H24N4O3S/c1-16-8-9-19(17(2)14-16)29(26,27)25-12-10-24(11-13-25)15-20-22-21(23-28-20)18-6-4-3-5-7-18/h3-9,14H,10-13,15H2,1-2H3/p+1