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

Systemtic Name: [4-[[5-fluoranyl-2-(3-phenylpropanoylamino)phenyl]amino]-4-oxidanylidene-butyl]azanium Openeye Name: [4-[5-fluoro-2-(3-phenylpropanoylamino)anilino]-4-oxo-butyl]ammonium CAS Name: [4-[5-fluoro-2-[(1-oxo-3-phenylpropyl)amino]anilino]-4-oxobutyl]ammonium IUPAC Name: [4-[5-fluoro-2-(3-phenylpropanoylamino)anilino]-4-oxobutyl]azanium Traditional Name: [4-[5-fluoro-2-(hydrocinnamoylamino)anilino]-4-keto-butyl]ammonium Formula: C19H23FN3O2+ MolecularWeight: 344.403223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22FN3O2/c20-15-9-10-16(17(13-15)23-18(24)7-4-12-21)22-19(25)11-8-14-5-2-1-3-6-14/h1-3,5-6,9-10,13H,4,7-8,11-12,21H2,(H,22,25)(H,23,24)/p+1