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

Systemtic Name: 2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(4-isopropyl-1,2,4-triazol-3-yl)thio]-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C16H23N6OS+ MolecularWeight: 347.45842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC(C)N1C=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C16H22N6OS/c1-13(2)22-12-18-19-16(22)24-11-15(23)21-9-7-20(8-10-21)14-5-3-4-6-17-14/h3-6,12-13H,7-11H2,1-2H3/p+1