[(2S)-1-[(3-azanyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-(2-cyanoethyl)-methyl-azanium

Systemtic Name: [(2S)-1-[(3-azanyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-(2-cyanoethyl)-methyl-azanium Openeye Name: [(1S)-2-(3-amino-4-fluoro-anilino)-1-methyl-2-oxo-ethyl]-(2-cyanoethyl)-methyl-ammonium CAS Name: [(2S)-1-(3-amino-4-fluoroanilino)-1-oxopropan-2-yl]-(2-cyanoethyl)-methylammonium IUPAC Name: [(2S)-1-(3-amino-4-fluoroanilino)-1-oxopropan-2-yl]-(2-cyanoethyl)-methylazanium Traditional Name: [(1S)-2-(3-amino-4-fluoro-anilino)-2-keto-1-methyl-ethyl]-(2-cyanoethyl)-methyl-ammonium Formula: C13H18FN4O+ MolecularWeight: 265.306623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17FN4O/c1-9(18(2)7-3-6-15)13(19)17-10-4-5-11(14)12(16)8-10/h4-5,8-9H,3,7,16H2,1-2H3,(H,17,19)/p+1/t9-/m0/s1