2-(2,4-dinitrophenyl)sulfonyl-1-(4-methylpiperazin-4-ium-1-yl)ethanone

Systemtic Name: 2-(2,4-dinitrophenyl)sulfonyl-1-(4-methylpiperazin-4-ium-1-yl)ethanone Openeye Name: 2-(2,4-dinitrophenyl)sulfonyl-1-(4-methylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-(2,4-dinitrophenyl)sulfonyl-1-(4-methyl-1-piperazin-4-iumyl)ethanone IUPAC Name: 2-(2,4-dinitrophenyl)sulfonyl-1-(4-methylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-(2,4-dinitrophenyl)sulfonyl-1-(4-methylpiperazin-4-ium-1-yl)ethanone Formula: C13H17N4O7S+ MolecularWeight: 373.36168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O7S/c1-14-4-6-15(7-5-14)13(18)9-25(23,24)12-3-2-10(16(19)20)8-11(12)17(21)22/h2-3,8H,4-7,9H2,1H3/p+1