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

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl]-[(2-fluorophenyl)methyl]azanium Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl]-[(2-fluorophenyl)methyl]ammonium CAS Name: [2-(2-cyanoethylamino)-2-oxoethyl]-[(2-fluorophenyl)methyl]ammonium IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium Traditional Name: [2-(2-cyanoethylamino)-2-keto-ethyl]-(2-fluorobenzyl)ammonium Formula: C12H15FN3O+ MolecularWeight: 236.265403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14FN3O/c13-11-5-2-1-4-10(11)8-15-9-12(17)16-7-3-6-14/h1-2,4-5,15H,3,7-9H2,(H,16,17)/p+1