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

Systemtic Name: [4-[[2-(2-ethylbutanoylamino)-5-fluoranyl-phenyl]amino]-4-oxidanylidene-butyl]azanium Openeye Name: [4-[2-(2-ethylbutanoylamino)-5-fluoro-anilino]-4-oxo-butyl]ammonium CAS Name: [4-[2-[(2-ethyl-1-oxobutyl)amino]-5-fluoroanilino]-4-oxobutyl]ammonium IUPAC Name: [4-[2-(2-ethylbutanoylamino)-5-fluoroanilino]-4-oxobutyl]azanium Traditional Name: [4-[2-(2-ethylbutanoylamino)-5-fluoro-anilino]-4-keto-butyl]ammonium Formula: C16H25FN3O2+ MolecularWeight: 310.387003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24FN3O2/c1-3-11(4-2)16(22)20-13-8-7-12(17)10-14(13)19-15(21)6-5-9-18/h7-8,10-11H,3-6,9,18H2,1-2H3,(H,19,21)(H,20,22)/p+1