[4-[[5-fluoranyl-2-(2-phenylethanoylamino)phenyl]amino]-4-oxidanylidene-butyl]azanium

Systemtic Name: [4-[[5-fluoranyl-2-(2-phenylethanoylamino)phenyl]amino]-4-oxidanylidene-butyl]azanium Openeye Name: [4-[5-fluoro-2-[(2-phenylacetyl)amino]anilino]-4-oxo-butyl]ammonium CAS Name: [4-[5-fluoro-2-[(1-oxo-2-phenylethyl)amino]anilino]-4-oxobutyl]ammonium IUPAC Name: [4-[5-fluoro-2-[(2-phenylacetyl)amino]anilino]-4-oxobutyl]azanium Traditional Name: [4-[5-fluoro-2-[(2-phenylacetyl)amino]anilino]-4-keto-butyl]ammonium Formula: C18H21FN3O2+ MolecularWeight: 330.376643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NC2=C(C=C(C=C2)F)NC(=O)CCC[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NC2=C(C=C(C=C2)F)NC(=O)CCC[NH3+]

InChI

InChI=1S/C18H20FN3O2/c19-14-8-9-15(16(12-14)22-17(23)7-4-10-20)21-18(24)11-13-5-2-1-3-6-13/h1-3,5-6,8-9,12H,4,7,10-11,20H2,(H,21,24)(H,22,23)/p+1