2-[3-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoylamino]ethylazanium

Systemtic Name: 2-[3-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoylamino]ethylazanium Openeye Name: 2-[3-[2-(4-fluoroanilino)-2-oxo-ethyl]sulfanylpropanoylamino]ethylammonium CAS Name: 2-[[3-[[2-(4-fluoroanilino)-2-oxoethyl]thio]-1-oxopropyl]amino]ethylammonium IUPAC Name: 2-[3-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoylamino]ethylazanium Traditional Name: 2-[3-[[2-(4-fluoroanilino)-2-keto-ethyl]thio]propanoylamino]ethylammonium Formula: C13H19FN3O2S+ MolecularWeight: 300.372263

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CSCCC(=O)NCC[NH3+])F

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CSCCC(=O)NCC[NH3+])F

InChI

InChI=1S/C13H18FN3O2S/c14-10-1-3-11(4-2-10)17-13(19)9-20-8-5-12(18)16-7-6-15/h1-4H,5-9,15H2,(H,16,18)(H,17,19)/p+1