[4-[(5-azanyl-2-fluoranyl-phenyl)amino]-4-oxidanylidene-butyl]-(2-cyanoethyl)-methyl-azanium

Systemtic Name: [4-[(5-azanyl-2-fluoranyl-phenyl)amino]-4-oxidanylidene-butyl]-(2-cyanoethyl)-methyl-azanium Openeye Name: [4-(5-amino-2-fluoro-anilino)-4-oxo-butyl]-(2-cyanoethyl)-methyl-ammonium CAS Name: [4-(5-amino-2-fluoroanilino)-4-oxobutyl]-(2-cyanoethyl)-methylammonium IUPAC Name: [4-(5-amino-2-fluoroanilino)-4-oxobutyl]-(2-cyanoethyl)-methylazanium Traditional Name: [4-(5-amino-2-fluoro-anilino)-4-keto-butyl]-(2-cyanoethyl)-methyl-ammonium Formula: C14H20FN4O+ MolecularWeight: 279.333203

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCC(=O)NC1=C(C=CC(=C1)N)F)CCC#N

Isomeric SMILES

C[NH+](CCCC(=O)NC1=C(C=CC(=C1)N)F)CCC#N

InChI

InChI=1S/C14H19FN4O/c1-19(9-3-7-16)8-2-4-14(20)18-13-10-11(17)5-6-12(13)15/h5-6,10H,2-4,8-9,17H2,1H3,(H,18,20)/p+1