(2R)-2-(4-methylpiperazin-4-ium-1-yl)carbothioylsulfanylpropanoate

Systemtic Name: (2R)-2-(4-methylpiperazin-4-ium-1-yl)carbothioylsulfanylpropanoate Openeye Name: (2R)-2-(4-methylpiperazin-4-ium-1-carbothioyl)sulfanylpropanoate CAS Name: (2R)-2-[[(4-methyl-1-piperazin-4-iumyl)-sulfanylidenemethyl]thio]propanoate IUPAC Name: (2R)-2-(4-methylpiperazin-4-ium-1-carbothioyl)sulfanylpropanoate Traditional Name: (2R)-2-[(4-methylpiperazin-4-ium-1-carbothioyl)thio]propionate Formula: C9H16N2O2S2 MolecularWeight: 248.36554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SC(=S)N1CC[NH+](CC1)C

Isomeric SMILES

C[C@H](C(=O)[O-])SC(=S)N1CC[NH+](CC1)C

InChI

InChI=1S/C9H16N2O2S2/c1-7(8(12)13)15-9(14)11-5-3-10(2)4-6-11/h7H,3-6H2,1-2H3,(H,12,13)/t7-/m1/s1