2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C14H19N6OS+ MolecularWeight: 319.40526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N6OS/c1-18-11-16-17-14(18)22-10-13(21)20-8-6-19(7-9-20)12-4-2-3-5-15-12/h2-5,11H,6-10H2,1H3/p+1