1-(2-phenyl-3-sulfanyl-pyridin-1-ium-1-yl)propan-2-one bromide

Systemtic Name: 1-(2-phenyl-3-sulfanyl-pyridin-1-ium-1-yl)propan-2-one bromide Openeye Name: 1-(2-phenyl-3-sulfanyl-pyridin-1-ium-1-yl)propan-2-one bromide CAS Name: 1-(3-mercapto-2-phenyl-1-pyridin-1-iumyl)-2-propanone bromide IUPAC Name: 1-(2-phenyl-3-sulfanylpyridin-1-ium-1-yl)propan-2-one bromide Traditional Name: 1-(3-mercapto-2-phenyl-pyridin-1-ium-1-yl)acetone bromide Formula: C14H14BrNOS MolecularWeight: 324.23606

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C[N+]1=CC=CC(=C1C2=CC=CC=C2)S.[Br-]

Isomeric SMILES

CC(=O)C[N+]1=CC=CC(=C1C2=CC=CC=C2)S.[Br-]

InChI

InChI=1S/C14H13NOS.BrH/c1-11(16)10-15-9-5-8-13(17)14(15)12-6-3-2-4-7-12;/h2-9H,10H2,1H3;1H