3-(4-fluorophenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxidanylidene-N-prop-2-enyl-propanimidothioate

Systemtic Name: 3-(4-fluorophenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxidanylidene-N-prop-2-enyl-propanimidothioate Openeye Name: N-allyl-3-(4-fluorophenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxo-propanimidothioate CAS Name: 3-(4-fluorophenyl)-2-[3-(hydroxymethyl)-1-pyridin-1-iumyl]-3-oxo-N-prop-2-enylpropanimidothioate IUPAC Name: 3-(4-fluorophenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxo-N-prop-2-enylpropanimidothioate Traditional Name: N-allyl-3-(4-fluorophenyl)-3-keto-2-(3-methylolpyridin-1-ium-1-yl)thiopropionimidate Formula: C18H17FN2O2S MolecularWeight: 344.403183

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN=C(C(C(=O)C1=CC=C(C=C1)F)[N+]2=CC=CC(=C2)CO)[S-]

Isomeric SMILES

C=CCN=C(C(C(=O)C1=CC=C(C=C1)F)[N+]2=CC=CC(=C2)CO)[S-]

InChI

InChI=1S/C18H17FN2O2S/c1-2-9-20-18(24)16(21-10-3-4-13(11-21)12-22)17(23)14-5-7-15(19)8-6-14/h2-8,10-11,16,22H,1,9,12H2