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

Systemtic Name: 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C17H23N6OS+ MolecularWeight: 359.46912

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C4CC4

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C4CC4

InChI

InChI=1S/C17H22N6OS/c1-21-16(13-5-6-13)19-20-17(21)25-12-15(24)23-10-8-22(9-11-23)14-4-2-3-7-18-14/h2-4,7,13H,5-6,8-12H2,1H3/p+1