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

Systemtic Name: S-(2-pyridin-1-ium-1-ylethyl) ethanethioate Openeye Name: S-(2-pyridin-1-ium-1-ylethyl) ethanethioate CAS Name: ethanethioic acid S-[2-(1-pyridin-1-iumyl)ethyl] ester IUPAC Name: S-(2-pyridin-1-ium-1-ylethyl) ethanethioate Traditional Name: ethanethioic acid S-(2-pyridin-1-ium-1-ylethyl) ester Formula: C9H12NOS+ MolecularWeight: 182.26268

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC[N+]1=CC=CC=C1

Isomeric SMILES

CC(=O)SCC[N+]1=CC=CC=C1

InChI

InChI=1S/C9H12NOS/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3/q+1