S-(2-piperidin-1-ium-1-ylethyl) ethanethioate

Systemtic Name: S-(2-piperidin-1-ium-1-ylethyl) ethanethioate Openeye Name: S-(2-piperidin-1-ium-1-ylethyl) ethanethioate CAS Name: ethanethioic acid S-[2-(1-piperidin-1-iumyl)ethyl] ester IUPAC Name: S-(2-piperidin-1-ium-1-ylethyl) ethanethioate Traditional Name: ethanethioic acid S-(2-piperidin-1-ium-1-ylethyl) ester Formula: C9H18NOS+ MolecularWeight: 188.31032

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC[NH+]1CCCCC1

Isomeric SMILES

CC(=O)SCC[NH+]1CCCCC1

InChI

InChI=1S/C9H17NOS/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-8H2,1H3/p+1