1-(4-methylpiperazin-4-ium-1-yl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-ethanone

Systemtic Name: 1-(4-methylpiperazin-4-ium-1-yl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-ethanone Openeye Name: 1-(4-methylpiperazin-4-ium-1-yl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-ethanone CAS Name: 1-(4-methyl-1-piperazin-4-iumyl)-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]ethanone IUPAC Name: 1-(4-methylpiperazin-4-ium-1-yl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylethanone Traditional Name: 1-(4-methylpiperazin-4-ium-1-yl)-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]ethanone Formula: C14H17F3N3O3S+ MolecularWeight: 364.36329

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16F3N3O3S/c1-18-4-6-19(7-5-18)13(21)9-24-12-3-2-10(14(15,16)17)8-11(12)20(22)23/h2-3,8H,4-7,9H2,1H3/p+1