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

Systemtic Name: 4-[2-(4-tert-butylphenyl)sulfanylethyl]-1-methyl-pyridin-1-ium iodide Openeye Name: 4-[2-(4-tert-butylphenyl)sulfanylethyl]-1-methyl-pyridin-1-ium iodide CAS Name: 4-[2-[(4-tert-butylphenyl)thio]ethyl]-1-methylpyridin-1-ium iodide IUPAC Name: 4-[2-(4-tert-butylphenyl)sulfanylethyl]-1-methylpyridin-1-ium iodide Traditional Name: 4-[2-[(4-tert-butylphenyl)thio]ethyl]-1-methyl-pyridin-1-ium iodide Formula: C18H24INS MolecularWeight: 413.35933

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24NS.HI/c1-18(2,3)16-5-7-17(8-6-16)20-14-11-15-9-12-19(4)13-10-15;/h5-10,12-13H,11,14H2,1-4H3;1H/q+1;/p-1