[2-[(3-azanyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]-(2-cyanoethyl)-methyl-azanium

Systemtic Name: [2-[(3-azanyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]-(2-cyanoethyl)-methyl-azanium Openeye Name: [2-(3-amino-4-fluoro-anilino)-2-oxo-ethyl]-(2-cyanoethyl)-methyl-ammonium CAS Name: [2-(3-amino-4-fluoroanilino)-2-oxoethyl]-(2-cyanoethyl)-methylammonium IUPAC Name: [2-(3-amino-4-fluoroanilino)-2-oxoethyl]-(2-cyanoethyl)-methylazanium Traditional Name: [2-(3-amino-4-fluoro-anilino)-2-keto-ethyl]-(2-cyanoethyl)-methyl-ammonium Formula: C12H16FN4O+ MolecularWeight: 251.280043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15FN4O/c1-17(6-2-5-14)8-12(18)16-9-3-4-10(13)11(15)7-9/h3-4,7H,2,6,8,15H2,1H3,(H,16,18)/p+1