(2R)-N-[2-(4-fluorophenyl)ethyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide

Systemtic Name: (2R)-N-[2-(4-fluorophenyl)ethyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide Openeye Name: (2R)-N-[2-(4-fluorophenyl)ethyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propanamide CAS Name: (2R)-N-[2-(4-fluorophenyl)ethyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]propanamide IUPAC Name: (2R)-N-[2-(4-fluorophenyl)ethyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide Traditional Name: (2R)-N-[2-(4-fluorophenyl)ethyl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]propionamide Formula: C16H17FN2O2S MolecularWeight: 320.381783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=C(C=C1)F)SC2=CC=CC=[N+]2[O-]

Isomeric SMILES

C[C@H](C(=O)NCCC1=CC=C(C=C1)F)SC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C16H17FN2O2S/c1-12(22-15-4-2-3-11-19(15)21)16(20)18-10-9-13-5-7-14(17)8-6-13/h2-8,11-12H,9-10H2,1H3,(H,18,20)/t12-/m1/s1