2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxidanylidene-3-phenylsulfanyl-piperazin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxidanylidene-3-phenylsulfanyl-piperazin-1-ium-1-yl]ethanoate Openeye Name: 2-(4-tert-butoxycarbonyl-1-methyl-2-oxo-3-phenylsulfanyl-piperazin-1-ium-1-yl)acetate CAS Name: 2-[1-methyl-4-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-oxo-3-(phenylthio)-1-piperazin-1-iumyl]acetate IUPAC Name: 2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-3-phenylsulfanylpiperazin-1-ium-1-yl]acetate Traditional Name: 2-[4-tert-butoxycarbonyl-2-keto-1-methyl-3-(phenylthio)piperazin-1-ium-1-yl]acetate Formula: C18H24N2O5S MolecularWeight: 380.45856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC[N+](C(=O)C1SC2=CC=CC=C2)(C)CC(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[N+](C(=O)C1SC2=CC=CC=C2)(C)CC(=O)[O-]

InChI

InChI=1S/C18H24N2O5S/c1-18(2,3)25-17(24)19-10-11-20(4,12-14(21)22)16(23)15(19)26-13-8-6-5-7-9-13/h5-9,15H,10-12H2,1-4H3