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

Systemtic Name: [(2R)-2-cyanopropyl]-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: [(2R)-2-cyanopropyl]-[2-(3-fluoroanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: [(2R)-2-cyanopropyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylammonium IUPAC Name: [(2R)-2-cyanopropyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium Traditional Name: [(2R)-2-cyanopropyl]-[2-(3-fluoroanilino)-2-keto-ethyl]-methyl-ammonium Formula: C13H17FN3O+ MolecularWeight: 250.291983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16FN3O/c1-10(7-15)8-17(2)9-13(18)16-12-5-3-4-11(14)6-12/h3-6,10H,8-9H2,1-2H3,(H,16,18)/p+1/t10-/m0/s1