S-[2-(1,4-dimethylpiperazin-1-ium-1-yl)ethyl] ethanethioate bromide

Systemtic Name: S-[2-(1,4-dimethylpiperazin-1-ium-1-yl)ethyl] ethanethioate bromide Openeye Name: S-[2-(1,4-dimethylpiperazin-1-ium-1-yl)ethyl] ethanethioate bromide CAS Name: ethanethioic acid S-[2-(1,4-dimethyl-1-piperazin-1-iumyl)ethyl] ester bromide IUPAC Name: S-[2-(1,4-dimethylpiperazin-1-ium-1-yl)ethyl] ethanethioate bromide Traditional Name: ethanethioic acid S-[2-(1,4-dimethylpiperazin-1-ium-1-yl)ethyl] ester bromide Formula: C10H21BrN2OS MolecularWeight: 297.25554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H21N2OS.BrH/c1-10(13)14-9-8-12(3)6-4-11(2)5-7-12;/h4-9H2,1-3H3;1H/q+1;/p-1