2-cyanoethyl-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 2-cyanoethyl-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 2-cyanoethyl-[2-(4-fluoroanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 2-cyanoethyl-[2-(4-fluoroanilino)-2-oxoethyl]-methylammonium IUPAC Name: 2-cyanoethyl-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium Traditional Name: 2-cyanoethyl-[2-(4-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=C(C=C1)F

Isomeric SMILES

C[NH+](CCC#N)CC(=O)NC1=CC=C(C=C1)F

InChI

InChI=1S/C12H14FN3O/c1-16(8-2-7-14)9-12(17)15-11-5-3-10(13)4-6-11/h3-6H,2,8-9H2,1H3,(H,15,17)/p+1