(2S)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(4-fluorophenyl)-3-oxidanylidene-N-prop-2-enyl-propanethioamide

Systemtic Name: (2S)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(4-fluorophenyl)-3-oxidanylidene-N-prop-2-enyl-propanethioamide Openeye Name: (2S)-N-allyl-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(4-fluorophenyl)-3-oxo-propanethioamide CAS Name: (2S)-2-[4-(dimethylamino)-1-pyridin-1-iumyl]-3-(4-fluorophenyl)-3-oxo-N-prop-2-enylpropanethioamide IUPAC Name: (2S)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(4-fluorophenyl)-3-oxo-N-prop-2-enylpropanethioamide Traditional Name: (2S)-N-allyl-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(4-fluorophenyl)-3-keto-thiopropionamide Formula: C19H21FN3OS+ MolecularWeight: 358.452943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20FN3OS/c1-4-11-21-19(25)17(18(24)14-5-7-15(20)8-6-14)23-12-9-16(10-13-23)22(2)3/h4-10,12-13,17H,1,11H2,2-3H3/p+1/t17-/m0/s1