(2S)-N-ethyl-3-(4-fluorophenyl)-3-oxidanylidene-2-(4-propylpyridin-1-ium-1-yl)propanethioamide

Systemtic Name: (2S)-N-ethyl-3-(4-fluorophenyl)-3-oxidanylidene-2-(4-propylpyridin-1-ium-1-yl)propanethioamide Openeye Name: (2S)-N-ethyl-3-(4-fluorophenyl)-3-oxo-2-(4-propylpyridin-1-ium-1-yl)propanethioamide CAS Name: (2S)-N-ethyl-3-(4-fluorophenyl)-3-oxo-2-(4-propyl-1-pyridin-1-iumyl)propanethioamide IUPAC Name: (2S)-N-ethyl-3-(4-fluorophenyl)-3-oxo-2-(4-propylpyridin-1-ium-1-yl)propanethioamide Traditional Name: (2S)-N-ethyl-3-(4-fluorophenyl)-3-keto-2-(4-propylpyridin-1-ium-1-yl)thiopropionamide Formula: C19H22FN2OS+ MolecularWeight: 345.454183

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=[N+](C=C1)C(C(=O)C2=CC=C(C=C2)F)C(=S)NCC

Isomeric SMILES

CCCC1=CC=[N+](C=C1)[C@@H](C(=O)C2=CC=C(C=C2)F)C(=S)NCC

InChI

InChI=1S/C19H21FN2OS/c1-3-5-14-10-12-22(13-11-14)17(19(24)21-4-2)18(23)15-6-8-16(20)9-7-15/h6-13,17H,3-5H2,1-2H3/p+1/t17-/m0/s1