S-[2-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)ethyl] ethanethioate

Systemtic Name: S-[2-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)ethyl] ethanethioate Openeye Name: S-[2-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-(1,4,4-trimethyl-1-piperazine-1,4-diiumyl)ethyl] ester IUPAC Name: S-[2-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)ethyl] ester Formula: C11H24N2OS+2 MolecularWeight: 232.38606

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC[N+]1(CC[N+](CC1)(C)C)C

Isomeric SMILES

CC(=O)SCC[N+]1(CC[N+](CC1)(C)C)C

InChI

InChI=1S/C11H24N2OS/c1-11(14)15-10-9-13(4)7-5-12(2,3)6-8-13/h5-10H2,1-4H3/q+2