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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20FN3O2/c1-2-4-13(19)17-11-7-6-10(15)9-12(11)18-14(20)5-3-8-16/h6-7,9H,2-5,8,16H2,1H3,(H,17,19)(H,18,20)/p+1