1-methyl-4-phenylsulfanyl-pyridin-1-ium iodide

Systemtic Name: 1-methyl-4-phenylsulfanyl-pyridin-1-ium iodide Openeye Name: 1-methyl-4-phenylsulfanyl-pyridin-1-ium iodide CAS Name: 1-methyl-4-(phenylthio)pyridin-1-ium iodide IUPAC Name: 1-methyl-4-phenylsulfanylpyridin-1-ium iodide Traditional Name: 1-methyl-4-(phenylthio)pyridin-1-ium iodide Formula: C12H12INS MolecularWeight: 329.19985

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)SC2=CC=CC=C2.[I-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)SC2=CC=CC=C2.[I-]

InChI

InChI=1S/C12H12NS.HI/c1-13-9-7-12(8-10-13)14-11-5-3-2-4-6-11;/h2-10H,1H3;1H/q+1;/p-1