1-(4-ethanoylpiperazin-1-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(4-ethanoylpiperazin-1-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-ethanone CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]ethanone IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone Traditional Name: 1-(4-acetylpiperazino)-2-[(1-oxidopyridin-1-ium-2-yl)thio]ethanone Formula: C13H17N3O3S MolecularWeight: 295.35738

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C13H17N3O3S/c1-11(17)14-6-8-15(9-7-14)12(18)10-20-13-4-2-3-5-16(13)19/h2-5H,6-10H2,1H3