3-(4-methylpiperazin-4-ium-1-yl)carbothioylsulfanylpropanoate

Systemtic Name: 3-(4-methylpiperazin-4-ium-1-yl)carbothioylsulfanylpropanoate Openeye Name: 3-(4-methylpiperazin-4-ium-1-carbothioyl)sulfanylpropanoate CAS Name: 3-[[(4-methyl-1-piperazin-4-iumyl)-sulfanylidenemethyl]thio]propanoate IUPAC Name: 3-(4-methylpiperazin-4-ium-1-carbothioyl)sulfanylpropanoate Traditional Name: 3-[(4-methylpiperazin-4-ium-1-carbothioyl)thio]propionate Formula: C9H16N2O2S2 MolecularWeight: 248.36554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H16N2O2S2/c1-10-3-5-11(6-4-10)9(14)15-7-2-8(12)13/h2-7H2,1H3,(H,12,13)