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

Systemtic Name: S-[1-(1-hydroxyethyl)pyridin-1-ium-3-yl] benzenecarbothioate iodide Openeye Name: S-[1-(1-hydroxyethyl)pyridin-1-ium-3-yl] benzenecarbothioate iodide CAS Name: benzenecarbothioic acid S-[1-(1-hydroxyethyl)-3-pyridin-1-iumyl] ester iodide IUPAC Name: S-[1-(1-hydroxyethyl)pyridin-1-ium-3-yl] benzenecarbothioate iodide Traditional Name: thiobenzoic acid S-[1-(1-hydroxyethyl)pyridin-1-ium-3-yl] ester iodide Formula: C14H14INO2S MolecularWeight: 387.23593

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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