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

Systemtic Name: [4-[[5-fluoranyl-2-(2-methylpropanoylamino)phenyl]amino]-4-oxidanylidene-butyl]azanium Openeye Name: [4-[5-fluoro-2-(2-methylpropanoylamino)anilino]-4-oxo-butyl]ammonium CAS Name: [4-[5-fluoro-2-[(2-methyl-1-oxopropyl)amino]anilino]-4-oxobutyl]ammonium IUPAC Name: [4-[5-fluoro-2-(2-methylpropanoylamino)anilino]-4-oxobutyl]azanium Traditional Name: [4-[5-fluoro-2-(isobutyrylamino)anilino]-4-keto-butyl]ammonium Formula: C14H21FN3O2+ MolecularWeight: 282.333843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=C(C=C(C=C1)F)NC(=O)CCC[NH3+]

Isomeric SMILES

CC(C)C(=O)NC1=C(C=C(C=C1)F)NC(=O)CCC[NH3+]

InChI

InChI=1S/C14H20FN3O2/c1-9(2)14(20)18-11-6-5-10(15)8-12(11)17-13(19)4-3-7-16/h5-6,8-9H,3-4,7,16H2,1-2H3,(H,17,19)(H,18,20)/p+1