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

Systemtic Name: 1-(2-phenyl-3-sulfanyl-pyridin-1-ium-1-yl)propan-2-one Openeye Name: 1-(2-phenyl-3-sulfanyl-pyridin-1-ium-1-yl)propan-2-one CAS Name: 1-(3-mercapto-2-phenyl-1-pyridin-1-iumyl)-2-propanone IUPAC Name: 1-(2-phenyl-3-sulfanylpyridin-1-ium-1-yl)propan-2-one Traditional Name: 1-(3-mercapto-2-phenyl-pyridin-1-ium-1-yl)acetone Formula: C14H14NOS+ MolecularWeight: 244.33206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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