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

Systemtic Name: [4-[[5-fluoranyl-2-(pentanoylamino)phenyl]amino]-4-oxidanylidene-butyl]azanium Openeye Name: [4-[5-fluoro-2-(pentanoylamino)anilino]-4-oxo-butyl]ammonium CAS Name: [4-[5-fluoro-2-(1-oxopentylamino)anilino]-4-oxobutyl]ammonium IUPAC Name: [4-[5-fluoro-2-(pentanoylamino)anilino]-4-oxobutyl]azanium Traditional Name: [4-[5-fluoro-2-(valerylamino)anilino]-4-keto-butyl]ammonium Formula: C15H23FN3O2+ MolecularWeight: 296.360423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22FN3O2/c1-2-3-5-14(20)18-12-8-7-11(16)10-13(12)19-15(21)6-4-9-17/h7-8,10H,2-6,9,17H2,1H3,(H,18,20)(H,19,21)/p+1