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

Systemtic Name: 2-[(4-bromophenyl)sulfanylmethyl]-1-methyl-pyridin-1-ium Openeye Name: 2-[(4-bromophenyl)sulfanylmethyl]-1-methyl-pyridin-1-ium CAS Name: 2-[[(4-bromophenyl)thio]methyl]-1-methylpyridin-1-ium IUPAC Name: 2-[(4-bromophenyl)sulfanylmethyl]-1-methylpyridin-1-ium Traditional Name: 2-[[(4-bromophenyl)thio]methyl]-1-methyl-pyridin-1-ium Formula: C13H13BrNS+ MolecularWeight: 295.21802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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