4-methyl-3-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]sulfanyl-1H-1,2,4-triazol-5-one

Systemtic Name: 4-methyl-3-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]sulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 4-methyl-3-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-methyl-3-[[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]thio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-methyl-3-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]thio]-4-methyl-1H-1,2,4-triazol-5-one Formula: C14H19N6O2S+ MolecularWeight: 335.40466

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CN1C(=O)NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C14H18N6O2S/c1-18-13(22)16-17-14(18)23-10-12(21)20-8-6-19(7-9-20)11-4-2-3-5-15-11/h2-5H,6-10H2,1H3,(H,16,22)/p+1