S-[2-(1-methylpyridin-1-ium-4-yl)ethyl] benzenecarbothioate iodide

Systemtic Name: S-[2-(1-methylpyridin-1-ium-4-yl)ethyl] benzenecarbothioate iodide Openeye Name: S-[2-(1-methylpyridin-1-ium-4-yl)ethyl] benzenecarbothioate iodide CAS Name: benzenecarbothioic acid S-[2-(1-methyl-4-pyridin-1-iumyl)ethyl] ester iodide IUPAC Name: S-[2-(1-methylpyridin-1-ium-4-yl)ethyl] benzenecarbothioate iodide Traditional Name: thiobenzoic acid S-[2-(1-methylpyridin-1-ium-4-yl)ethyl] ester iodide Formula: C15H16INOS MolecularWeight: 385.26311

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16NOS.HI/c1-16-10-7-13(8-11-16)9-12-18-15(17)14-5-3-2-4-6-14;/h2-8,10-11H,9,12H2,1H3;1H/q+1;/p-1