S-[1-(1-hydroxyethyl)pyridin-1-ium-3-yl] benzenecarbothioate

Systemtic Name: S-[1-(1-hydroxyethyl)pyridin-1-ium-3-yl] benzenecarbothioate Openeye Name: S-[1-(1-hydroxyethyl)pyridin-1-ium-3-yl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[1-(1-hydroxyethyl)-3-pyridin-1-iumyl] ester IUPAC Name: S-[1-(1-hydroxyethyl)pyridin-1-ium-3-yl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[1-(1-hydroxyethyl)pyridin-1-ium-3-yl] ester Formula: C14H14NO2S+ MolecularWeight: 260.33146

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Descriptors Computed from Structure

Canonical SMILES:

CC([N+]1=CC=CC(=C1)SC(=O)C2=CC=CC=C2)O

Isomeric SMILES

CC([N+]1=CC=CC(=C1)SC(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C14H14NO2S/c1-11(16)15-9-5-8-13(10-15)18-14(17)12-6-3-2-4-7-12/h2-11,16H,1H3/q+1