2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: 2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: 2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]thio]acetate IUPAC Name: 2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]thio]acetate Formula: C9H16N2O3S MolecularWeight: 232.29994

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CSCC(=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CSCC(=O)[O-]

InChI

InChI=1S/C9H16N2O3S/c1-10-2-4-11(5-3-10)8(12)6-15-7-9(13)14/h2-7H2,1H3,(H,13,14)