1-[[4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-5-sulfanylidene-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one

Systemtic Name: 1-[[4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-5-sulfanylidene-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one Openeye Name: 1-[[4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-5-thioxo-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one CAS Name: 1-[[4-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-5-sulfanylidene-1,3,4-oxadiazol-2-yl]methyl]-2-pyrrolidinone IUPAC Name: 1-[[4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-5-sulfanylidene-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one Traditional Name: 1-[[4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-5-thioxo-1,3,4-oxadiazol-2-yl]methyl]-2-pyrrolidone Formula: C17H24N6O2S+2 MolecularWeight: 376.47646

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CC2=NN(C(=S)O2)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CC(=O)N(C1)CC2=NN(C(=S)O2)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C17H22N6O2S/c24-16-5-3-7-22(16)12-15-19-23(17(26)25-15)13-20-8-10-21(11-9-20)14-4-1-2-6-18-14/h1-2,4,6H,3,5,7-13H2/p+2