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

Systemtic Name: S-[2-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)ethyl] ethanethioate bromide iodide Openeye Name: S-[2-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)ethyl] ethanethioate bromide iodide CAS Name: ethanethioic acid S-[2-(1,4,4-trimethyl-1-piperazine-1,4-diiumyl)ethyl] ester bromide iodide IUPAC Name: S-[2-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)ethyl] ethanethioate bromide iodide Traditional Name: ethanethioic acid S-[2-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)ethyl] ester bromide iodide Formula: C22H48BrIN4O2S2+2 MolecularWeight: 671.58059

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC[N+]1(CC[N+](CC1)(C)C)C.CC(=O)SCC[N+]1(CC[N+](CC1)(C)C)C.[Br-].[I-]

Isomeric SMILES

CC(=O)SCC[N+]1(CC[N+](CC1)(C)C)C.CC(=O)SCC[N+]1(CC[N+](CC1)(C)C)C.[Br-].[I-]

InChI

InChI=1S/2C11H24N2OS.BrH.HI/c2*1-11(14)15-10-9-13(4)7-5-12(2,3)6-8-13;;/h2*5-10H2,1-4H3;2*1H/q2*+2;;/p-2