1-[3-[(4-chlorophenyl)sulfanylmethyl]-4-methoxy-phenyl]-2-pyridin-1-ium-1-yl-ethanone iodide

Systemtic Name: 1-[3-[(4-chlorophenyl)sulfanylmethyl]-4-methoxy-phenyl]-2-pyridin-1-ium-1-yl-ethanone iodide Openeye Name: 1-[3-[(4-chlorophenyl)sulfanylmethyl]-4-methoxy-phenyl]-2-pyridin-1-ium-1-yl-ethanone iodide CAS Name: 1-[3-[[(4-chlorophenyl)thio]methyl]-4-methoxyphenyl]-2-(1-pyridin-1-iumyl)ethanone iodide IUPAC Name: 1-[3-[(4-chlorophenyl)sulfanylmethyl]-4-methoxyphenyl]-2-pyridin-1-ium-1-ylethanone iodide Traditional Name: 1-[3-[[(4-chlorophenyl)thio]methyl]-4-methoxy-phenyl]-2-pyridin-1-ium-1-yl-ethanone iodide Formula: C21H19ClINO2S MolecularWeight: 511.80353

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C[N+]2=CC=CC=C2)CSC3=CC=C(C=C3)Cl.[I-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C[N+]2=CC=CC=C2)CSC3=CC=C(C=C3)Cl.[I-]

InChI

InChI=1S/C21H19ClNO2S.HI/c1-25-21-10-5-16(20(24)14-23-11-3-2-4-12-23)13-17(21)15-26-19-8-6-18(22)7-9-19;/h2-13H,14-15H2,1H3;1H/q+1;/p-1