(2S)-3-(4-fluorophenyl)-3-oxidanylidene-2-(4-pentan-3-ylpyridin-1-ium-1-yl)-N-prop-2-enyl-propanethioamide

Systemtic Name: (2S)-3-(4-fluorophenyl)-3-oxidanylidene-2-(4-pentan-3-ylpyridin-1-ium-1-yl)-N-prop-2-enyl-propanethioamide Openeye Name: (2S)-N-allyl-2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]-3-(4-fluorophenyl)-3-oxo-propanethioamide CAS Name: (2S)-3-(4-fluorophenyl)-3-oxo-2-(4-pentan-3-yl-1-pyridin-1-iumyl)-N-prop-2-enylpropanethioamide IUPAC Name: (2S)-3-(4-fluorophenyl)-3-oxo-2-(4-pentan-3-ylpyridin-1-ium-1-yl)-N-prop-2-enylpropanethioamide Traditional Name: (2S)-N-allyl-2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]-3-(4-fluorophenyl)-3-keto-thiopropionamide Formula: C22H26FN2OS+ MolecularWeight: 385.518043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25FN2OS/c1-4-13-24-22(27)20(21(26)18-7-9-19(23)10-8-18)25-14-11-17(12-15-25)16(5-2)6-3/h4,7-12,14-16,20H,1,5-6,13H2,2-3H3/p+1/t20-/m0/s1