1-(4-methylpiperazin-4-ium-1-yl)-2-(5-nitropyridin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(4-methylpiperazin-4-ium-1-yl)-2-(5-nitropyridin-2-yl)sulfanyl-ethanone Openeye Name: 1-(4-methylpiperazin-4-ium-1-yl)-2-[(5-nitro-2-pyridyl)sulfanyl]ethanone CAS Name: 1-(4-methyl-1-piperazin-4-iumyl)-2-[(5-nitro-2-pyridinyl)thio]ethanone IUPAC Name: 1-(4-methylpiperazin-4-ium-1-yl)-2-(5-nitropyridin-2-yl)sulfanylethanone Traditional Name: 1-(4-methylpiperazin-4-ium-1-yl)-2-[(5-nitro-2-pyridyl)thio]ethanone Formula: C12H17N4O3S+ MolecularWeight: 297.35338

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CSC2=NC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CSC2=NC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H16N4O3S/c1-14-4-6-15(7-5-14)12(17)9-20-11-3-2-10(8-13-11)16(18)19/h2-3,8H,4-7,9H2,1H3/p+1