S-[(4-ethyl-4-oxidanidyl-2-oxidanylidene-piperazin-4-ium-1-yl)methyl] ethanethioate

Systemtic Name: S-[(4-ethyl-4-oxidanidyl-2-oxidanylidene-piperazin-4-ium-1-yl)methyl] ethanethioate Openeye Name: S-[(4-ethyl-4-oxido-2-oxo-piperazin-4-ium-1-yl)methyl] ethanethioate CAS Name: ethanethioic acid S-[(4-ethyl-4-oxido-2-oxo-1-piperazin-4-iumyl)methyl] ester IUPAC Name: S-[(4-ethyl-4-oxido-2-oxopiperazin-4-ium-1-yl)methyl] ethanethioate Traditional Name: ethanethioic acid S-[(4-ethyl-2-keto-4-oxido-piperazin-4-ium-1-yl)methyl] ester Formula: C9H16N2O3S MolecularWeight: 232.29994

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCN(C(=O)C1)CSC(=O)C)[O-]

Isomeric SMILES

CC[N+]1(CCN(C(=O)C1)CSC(=O)C)[O-]

InChI

InChI=1S/C9H16N2O3S/c1-3-11(14)5-4-10(9(13)6-11)7-15-8(2)12/h3-7H2,1-2H3