[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl]-[2-(4-fluorophenyl)ethyl]azanium

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl]-[2-(4-fluorophenyl)ethyl]azanium Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl]-[2-(4-fluorophenyl)ethyl]ammonium CAS Name: [2-(2-cyanoethylamino)-2-oxoethyl]-[2-(4-fluorophenyl)ethyl]ammonium IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl]-[2-(4-fluorophenyl)ethyl]azanium Traditional Name: [2-(2-cyanoethylamino)-2-keto-ethyl]-[2-(4-fluorophenyl)ethyl]ammonium Formula: C13H17FN3O+ MolecularWeight: 250.291983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC[NH2+]CC(=O)NCCC#N)F

Isomeric SMILES

C1=CC(=CC=C1CC[NH2+]CC(=O)NCCC#N)F

InChI

InChI=1S/C13H16FN3O/c14-12-4-2-11(3-5-12)6-9-16-10-13(18)17-8-1-7-15/h2-5,16H,1,6,8-10H2,(H,17,18)/p+1