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

Systemtic Name: S-[2-(1,4-dimethylpiperazin-1-ium-1-yl)ethyl] ethanethioate Openeye Name: S-[2-(1,4-dimethylpiperazin-1-ium-1-yl)ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-(1,4-dimethyl-1-piperazin-1-iumyl)ethyl] ester IUPAC Name: S-[2-(1,4-dimethylpiperazin-1-ium-1-yl)ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-(1,4-dimethylpiperazin-1-ium-1-yl)ethyl] ester Formula: C10H21N2OS+ MolecularWeight: 217.35154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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