(2R)-2-azaniumyl-3-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-propanoate

Systemtic Name: (2R)-2-azaniumyl-3-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-propanoate Openeye Name: (2R)-2-azaniumyl-3-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-propanoate CAS Name: (2R)-2-ammonio-3-[[2-(4-methyl-1-piperazinyl)-2-oxoethyl]thio]propanoate IUPAC Name: (2R)-2-azaniumyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylpropanoate Traditional Name: (2R)-2-ammonio-3-[[2-keto-2-(4-methylpiperazino)ethyl]thio]propionate Formula: C10H19N3O3S MolecularWeight: 261.34116

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CSCC(C(=O)[O-])[NH3+]

Isomeric SMILES

CN1CCN(CC1)C(=O)CSC[C@@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C10H19N3O3S/c1-12-2-4-13(5-3-12)9(14)7-17-6-8(11)10(15)16/h8H,2-7,11H2,1H3,(H,15,16)/t8-/m0/s1