[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl]-[(3-fluorophenyl)methyl]azanium

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl]-[(3-fluorophenyl)methyl]azanium Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl]-[(3-fluorophenyl)methyl]ammonium CAS Name: [2-(2-cyanoethylamino)-2-oxoethyl]-[(3-fluorophenyl)methyl]ammonium IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl]-[(3-fluorophenyl)methyl]azanium Traditional Name: [2-(2-cyanoethylamino)-2-keto-ethyl]-(3-fluorobenzyl)ammonium Formula: C12H15FN3O+ MolecularWeight: 236.265403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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