1-(4-methylpiperazin-4-ium-1-yl)-2-(2-nitrophenyl)sulfanyl-ethanone

Systemtic Name: 1-(4-methylpiperazin-4-ium-1-yl)-2-(2-nitrophenyl)sulfanyl-ethanone Openeye Name: 1-(4-methylpiperazin-4-ium-1-yl)-2-(2-nitrophenyl)sulfanyl-ethanone CAS Name: 1-(4-methyl-1-piperazin-4-iumyl)-2-[(2-nitrophenyl)thio]ethanone IUPAC Name: 1-(4-methylpiperazin-4-ium-1-yl)-2-(2-nitrophenyl)sulfanylethanone Traditional Name: 1-(4-methylpiperazin-4-ium-1-yl)-2-[(2-nitrophenyl)thio]ethanone Formula: C13H18N3O3S+ MolecularWeight: 296.36532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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