1-methyl-4-[2-(4-methylphenyl)sulfanylethyl]pyridin-1-ium iodide

Systemtic Name: 1-methyl-4-[2-(4-methylphenyl)sulfanylethyl]pyridin-1-ium iodide Openeye Name: 1-methyl-4-[2-(p-tolylsulfanyl)ethyl]pyridin-1-ium iodide CAS Name: 1-methyl-4-[2-[(4-methylphenyl)thio]ethyl]pyridin-1-ium iodide IUPAC Name: 1-methyl-4-[2-(4-methylphenyl)sulfanylethyl]pyridin-1-ium iodide Traditional Name: 1-methyl-4-[2-(p-tolylthio)ethyl]pyridin-1-ium iodide Formula: C15H18INS MolecularWeight: 371.27959

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC2=CC=[N+](C=C2)C.[I-]

Isomeric SMILES

CC1=CC=C(C=C1)SCCC2=CC=[N+](C=C2)C.[I-]

InChI

InChI=1S/C15H18NS.HI/c1-13-3-5-15(6-4-13)17-12-9-14-7-10-16(2)11-8-14;/h3-8,10-11H,9,12H2,1-2H3;1H/q+1;/p-1