[4-[[5-fluoranyl-2-(pyridin-3-ylcarbonylamino)phenyl]amino]-4-oxidanylidene-butyl]azanium

Systemtic Name: [4-[[5-fluoranyl-2-(pyridin-3-ylcarbonylamino)phenyl]amino]-4-oxidanylidene-butyl]azanium Openeye Name: [4-[5-fluoro-2-(pyridine-3-carbonylamino)anilino]-4-oxo-butyl]ammonium CAS Name: [4-[5-fluoro-2-[[oxo(3-pyridinyl)methyl]amino]anilino]-4-oxobutyl]ammonium IUPAC Name: [4-[5-fluoro-2-(pyridine-3-carbonylamino)anilino]-4-oxobutyl]azanium Traditional Name: [4-(5-fluoro-2-nicotinamido-anilino)-4-keto-butyl]ammonium Formula: C16H18FN4O2+ MolecularWeight: 317.338123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17FN4O2/c17-12-5-6-13(14(9-12)20-15(22)4-1-7-18)21-16(23)11-3-2-8-19-10-11/h2-3,5-6,8-10H,1,4,7,18H2,(H,20,22)(H,21,23)/p+1