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

Systemtic Name: [4-[[5-fluoranyl-2-[(3-methylphenyl)carbonylamino]phenyl]amino]-4-oxidanylidene-butyl]azanium Openeye Name: [4-[5-fluoro-2-[(3-methylbenzoyl)amino]anilino]-4-oxo-butyl]ammonium CAS Name: [4-[5-fluoro-2-[[(3-methylphenyl)-oxomethyl]amino]anilino]-4-oxobutyl]ammonium IUPAC Name: [4-[5-fluoro-2-[(3-methylbenzoyl)amino]anilino]-4-oxobutyl]azanium Traditional Name: [4-[5-fluoro-2-(m-toluoylamino)anilino]-4-keto-butyl]ammonium Formula: C18H21FN3O2+ MolecularWeight: 330.376643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=C(C=C(C=C2)F)NC(=O)CCC[NH3+]

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=C(C=C(C=C2)F)NC(=O)CCC[NH3+]

InChI

InChI=1S/C18H20FN3O2/c1-12-4-2-5-13(10-12)18(24)22-15-8-7-14(19)11-16(15)21-17(23)6-3-9-20/h2,4-5,7-8,10-11H,3,6,9,20H2,1H3,(H,21,23)(H,22,24)/p+1