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

Systemtic Name: 3-(2-methylpropyl)-5-[[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 3-isobutyl-5-[[4-[(5-methyl-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-(2-methylpropyl)-5-[[4-[(5-methyl-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-(2-methylpropyl)-5-[[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 3-isobutyl-5-[[4-[(5-methyl-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Formula: C16H25N4O3S2+ MolecularWeight: 385.5247

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CC[NH+](CC2)CC3=NC(=NO3)CC(C)C

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CC[NH+](CC2)CC3=NC(=NO3)CC(C)C

InChI

InChI=1S/C16H24N4O3S2/c1-12(2)10-14-17-15(23-18-14)11-19-6-8-20(9-7-19)25(21,22)16-5-4-13(3)24-16/h4-5,12H,6-11H2,1-3H3/p+1