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

Systemtic Name: [4-[[2-(2,2-dimethylpropanoylamino)-5-fluoranyl-phenyl]amino]-4-oxidanylidene-butyl]azanium Openeye Name: [4-[2-(2,2-dimethylpropanoylamino)-5-fluoro-anilino]-4-oxo-butyl]ammonium CAS Name: [4-[2-[(2,2-dimethyl-1-oxopropyl)amino]-5-fluoroanilino]-4-oxobutyl]ammonium IUPAC Name: [4-[2-(2,2-dimethylpropanoylamino)-5-fluoroanilino]-4-oxobutyl]azanium Traditional Name: [4-[5-fluoro-2-(pivaloylamino)anilino]-4-keto-butyl]ammonium Formula: C15H23FN3O2+ MolecularWeight: 296.360423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22FN3O2/c1-15(2,3)14(21)19-11-7-6-10(16)9-12(11)18-13(20)5-4-8-17/h6-7,9H,4-5,8,17H2,1-3H3,(H,18,20)(H,19,21)/p+1