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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=C(C=C(C=C2)F)NC(=O)CCC[NH3+]

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=C(C=C(C=C2)F)NC(=O)CCC[NH3+]

InChI

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