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

Systemtic Name: 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)thio]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)thio]-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C16H20N5O2S+ MolecularWeight: 346.4273

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(O2)SCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CC1C2=NN=C(O2)SCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C16H19N5O2S/c22-14(11-24-16-19-18-15(23-16)12-4-5-12)21-9-7-20(8-10-21)13-3-1-2-6-17-13/h1-3,6,12H,4-5,7-11H2/p+1