1-methyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-pyridin-1-ium bromide

Systemtic Name: 1-methyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-pyridin-1-ium bromide Openeye Name: 2-[(E)-cinnamyl]sulfanyl-1-methyl-pyridin-1-ium bromide CAS Name: 1-methyl-2-[[(E)-3-phenylprop-2-enyl]thio]pyridin-1-ium bromide IUPAC Name: 1-methyl-2-[(E)-3-phenylprop-2-enyl]sulfanylpyridin-1-ium bromide Traditional Name: 2-[[(E)-cinnamyl]thio]-1-methyl-pyridin-1-ium bromide Formula: C15H16BrNS MolecularWeight: 322.26324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1SCC=CC2=CC=CC=C2.[Br-]

Isomeric SMILES

C[N+]1=CC=CC=C1SC/C=C/C2=CC=CC=C2.[Br-]

InChI

InChI=1S/C15H16NS.BrH/c1-16-12-6-5-11-15(16)17-13-7-10-14-8-3-2-4-9-14;/h2-12H,13H2,1H3;1H/q+1;/p-1/b10-7+;