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

Systemtic Name: [2-[(5-azanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]-(2-cyanoethyl)-methyl-azanium Openeye Name: [2-(5-amino-2-fluoro-anilino)-2-oxo-ethyl]-(2-cyanoethyl)-methyl-ammonium CAS Name: [2-(5-amino-2-fluoroanilino)-2-oxoethyl]-(2-cyanoethyl)-methylammonium IUPAC Name: [2-(5-amino-2-fluoroanilino)-2-oxoethyl]-(2-cyanoethyl)-methylazanium Traditional Name: [2-(5-amino-2-fluoro-anilino)-2-keto-ethyl]-(2-cyanoethyl)-methyl-ammonium Formula: C12H16FN4O+ MolecularWeight: 251.280043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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