2-cyanoethyl-[2-[(2-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 2-cyanoethyl-[2-[(2-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 2-cyanoethyl-[2-(2-fluoroanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 2-cyanoethyl-[2-(2-fluoroanilino)-2-oxoethyl]-methylammonium IUPAC Name: 2-cyanoethyl-[2-(2-fluoroanilino)-2-oxoethyl]-methylazanium Traditional Name: 2-cyanoethyl-[2-(2-fluoroanilino)-2-keto-ethyl]-methyl-ammonium Formula: C12H15FN3O+ MolecularWeight: 236.265403

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC#N)CC(=O)NC1=CC=CC=C1F

Isomeric SMILES

C[NH+](CCC#N)CC(=O)NC1=CC=CC=C1F

InChI

InChI=1S/C12H14FN3O/c1-16(8-4-7-14)9-12(17)15-11-6-3-2-5-10(11)13/h2-3,5-6H,4,8-9H2,1H3,(H,15,17)/p+1