(2R)-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-oxidanylidene-2-(4-propylpyridin-1-ium-1-yl)propanimidothioate

Systemtic Name: (2R)-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-oxidanylidene-2-(4-propylpyridin-1-ium-1-yl)propanimidothioate Openeye Name: (2R)-3-(4-fluorophenyl)-N-(2-furylmethyl)-3-oxo-2-(4-propylpyridin-1-ium-1-yl)propanimidothioate CAS Name: (2R)-3-(4-fluorophenyl)-N-(2-furanylmethyl)-3-oxo-2-(4-propyl-1-pyridin-1-iumyl)propanimidothioate IUPAC Name: (2R)-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-oxo-2-(4-propylpyridin-1-ium-1-yl)propanimidothioate Traditional Name: (2R)-3-(4-fluorophenyl)-N-(2-furfuryl)-3-keto-2-(4-propylpyridin-1-ium-1-yl)thiopropionimidate Formula: C22H21FN2O2S MolecularWeight: 396.477743

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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(=NCC3=CC=CO3)[S-]

Isomeric SMILES

CCCC1=CC=[N+](C=C1)[C@H](C(=O)C2=CC=C(C=C2)F)C(=NCC3=CC=CO3)[S-]

InChI

InChI=1S/C22H21FN2O2S/c1-2-4-16-10-12-25(13-11-16)20(21(26)17-6-8-18(23)9-7-17)22(28)24-15-19-5-3-14-27-19/h3,5-14,20H,2,4,15H2,1H3/t20-/m1/s1