2-(4-methylpiperazin-4-ium-1-yl)carbothioylsulfanylethanoic acid

Systemtic Name: 2-(4-methylpiperazin-4-ium-1-yl)carbothioylsulfanylethanoic acid Openeye Name: 2-(4-methylpiperazin-4-ium-1-carbothioyl)sulfanylacetic acid CAS Name: 2-[[(4-methyl-1-piperazin-4-iumyl)-sulfanylidenemethyl]thio]acetic acid IUPAC Name: 2-(4-methylpiperazin-4-ium-1-carbothioyl)sulfanylacetic acid Traditional Name: 2-[(4-methylpiperazin-4-ium-1-carbothioyl)thio]acetic acid Formula: C8H15N2O2S2+ MolecularWeight: 235.3469

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=S)SCC(=O)O

Isomeric SMILES

C[NH+]1CCN(CC1)C(=S)SCC(=O)O

InChI

InChI=1S/C8H14N2O2S2/c1-9-2-4-10(5-3-9)8(13)14-6-7(11)12/h2-6H2,1H3,(H,11,12)/p+1