[(2R)-1-[(5-azanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-diethyl-azanium

Systemtic Name: [(2R)-1-[(5-azanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-diethyl-azanium Openeye Name: [(1R)-2-(5-amino-2-fluoro-anilino)-1-methyl-2-oxo-ethyl]-diethyl-ammonium CAS Name: [(2R)-1-(5-amino-2-fluoroanilino)-1-oxopropan-2-yl]-diethylammonium IUPAC Name: [(2R)-1-(5-amino-2-fluoroanilino)-1-oxopropan-2-yl]-diethylazanium Traditional Name: [(1R)-2-(5-amino-2-fluoro-anilino)-2-keto-1-methyl-ethyl]-diethyl-ammonium Formula: C13H21FN3O+ MolecularWeight: 254.323743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[NH+](CC)[C@H](C)C(=O)NC1=C(C=CC(=C1)N)F

InChI

InChI=1S/C13H20FN3O/c1-4-17(5-2)9(3)13(18)16-12-8-10(15)6-7-11(12)14/h6-9H,4-5,15H2,1-3H3,(H,16,18)/p+1/t9-/m1/s1