[(1R)-1-cyanoethyl]-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: [(1R)-1-cyanoethyl]-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: [(1R)-1-cyanoethyl]-[2-(3-fluoroanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: [(1R)-1-cyanoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylammonium IUPAC Name: [(1R)-1-cyanoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium Traditional Name: [(1R)-1-cyanoethyl]-[2-(3-fluoroanilino)-2-keto-ethyl]-methyl-ammonium Formula: C12H15FN3O+ MolecularWeight: 236.265403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14FN3O/c1-9(7-14)16(2)8-12(17)15-11-5-3-4-10(13)6-11/h3-6,9H,8H2,1-2H3,(H,15,17)/p+1/t9-/m1/s1