2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[[5-(o-tolyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]thio]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[[5-(o-tolyl)-1,3,4-oxadiazol-2-yl]thio]-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C20H22N5O2S+ MolecularWeight: 396.48598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(O2)SCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(O2)SCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H21N5O2S/c1-15-6-2-3-7-16(15)19-22-23-20(27-19)28-14-18(26)25-12-10-24(11-13-25)17-8-4-5-9-21-17/h2-9H,10-14H2,1H3/p+1