[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl]-[2-(2-fluorophenyl)ethyl]azanium

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl]-[2-(2-fluorophenyl)ethyl]azanium Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl]-[2-(2-fluorophenyl)ethyl]ammonium CAS Name: [2-(2-cyanoethylamino)-2-oxoethyl]-[2-(2-fluorophenyl)ethyl]ammonium IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl]-[2-(2-fluorophenyl)ethyl]azanium Traditional Name: [2-(2-cyanoethylamino)-2-keto-ethyl]-[2-(2-fluorophenyl)ethyl]ammonium Formula: C13H17FN3O+ MolecularWeight: 250.291983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC[NH2+]CC(=O)NCCC#N)F

Isomeric SMILES

C1=CC=C(C(=C1)CC[NH2+]CC(=O)NCCC#N)F

InChI

InChI=1S/C13H16FN3O/c14-12-5-2-1-4-11(12)6-9-16-10-13(18)17-8-3-7-15/h1-2,4-5,16H,3,6,8-10H2,(H,17,18)/p+1