1-(4-methylpiperazin-4-ium-1-yl)-2-[[5-(phenylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone

Systemtic Name: 1-(4-methylpiperazin-4-ium-1-yl)-2-[[5-(phenylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone Openeye Name: 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone CAS Name: 1-(4-methyl-1-piperazin-4-iumyl)-2-[[5-(phenylmethyl)-1,3,4-oxadiazol-2-yl]thio]ethanone IUPAC Name: 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)thio]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Formula: C16H21N4O2S+ MolecularWeight: 333.42854

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CSC2=NN=C(O2)CC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CSC2=NN=C(O2)CC3=CC=CC=C3

InChI

InChI=1S/C16H20N4O2S/c1-19-7-9-20(10-8-19)15(21)12-23-16-18-17-14(22-16)11-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3/p+1