1-[2-(4-chlorophenyl)sulfanylpyridin-1-ium-1-yl]propan-2-one iodide

Systemtic Name: 1-[2-(4-chlorophenyl)sulfanylpyridin-1-ium-1-yl]propan-2-one iodide Openeye Name: 1-[2-(4-chlorophenyl)sulfanylpyridin-1-ium-1-yl]propan-2-one iodide CAS Name: 1-[2-[(4-chlorophenyl)thio]-1-pyridin-1-iumyl]-2-propanone iodide IUPAC Name: 1-[2-(4-chlorophenyl)sulfanylpyridin-1-ium-1-yl]propan-2-one iodide Traditional Name: 1-[2-[(4-chlorophenyl)thio]pyridin-1-ium-1-yl]acetone iodide Formula: C14H13ClINOS MolecularWeight: 405.68159

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C[N+]1=CC=CC=C1SC2=CC=C(C=C2)Cl.[I-]

Isomeric SMILES

CC(=O)C[N+]1=CC=CC=C1SC2=CC=C(C=C2)Cl.[I-]

InChI

InChI=1S/C14H13ClNOS.HI/c1-11(17)10-16-9-3-2-4-14(16)18-13-7-5-12(15)6-8-13;/h2-9H,10H2,1H3;1H/q+1;/p-1