(2S)-3-(4-ethylsulfonylpiperazin-1-ium-1-yl)-2-methyl-propanoate

Systemtic Name: (2S)-3-(4-ethylsulfonylpiperazin-1-ium-1-yl)-2-methyl-propanoate Openeye Name: (2S)-3-(4-ethylsulfonylpiperazin-1-ium-1-yl)-2-methyl-propanoate CAS Name: (2S)-3-(4-ethylsulfonyl-1-piperazin-1-iumyl)-2-methylpropanoate IUPAC Name: (2S)-3-(4-ethylsulfonylpiperazin-1-ium-1-yl)-2-methylpropanoate Traditional Name: (2S)-3-(4-esylpiperazin-1-ium-1-yl)-2-methyl-propionate Formula: C10H20N2O4S MolecularWeight: 264.3418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H20N2O4S/c1-3-17(15,16)12-6-4-11(5-7-12)8-9(2)10(13)14/h9H,3-8H2,1-2H3,(H,13,14)/t9-/m0/s1