2-[(4-bromophenyl)sulfanylmethyl]-1-methyl-pyridin-1-ium iodide

Systemtic Name: 2-[(4-bromophenyl)sulfanylmethyl]-1-methyl-pyridin-1-ium iodide Openeye Name: 2-[(4-bromophenyl)sulfanylmethyl]-1-methyl-pyridin-1-ium iodide CAS Name: 2-[[(4-bromophenyl)thio]methyl]-1-methylpyridin-1-ium iodide IUPAC Name: 2-[(4-bromophenyl)sulfanylmethyl]-1-methylpyridin-1-ium iodide Traditional Name: 2-[[(4-bromophenyl)thio]methyl]-1-methyl-pyridin-1-ium iodide Formula: C13H13BrINS MolecularWeight: 422.12249

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1CSC2=CC=C(C=C2)Br.[I-]

Isomeric SMILES

C[N+]1=CC=CC=C1CSC2=CC=C(C=C2)Br.[I-]

InChI

InChI=1S/C13H13BrNS.HI/c1-15-9-3-2-4-12(15)10-16-13-7-5-11(14)6-8-13;/h2-9H,10H2,1H3;1H/q+1;/p-1