(4-cyano-2-fluoranyl-phenyl)methyl-ethyl-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]azanium

Systemtic Name: (4-cyano-2-fluoranyl-phenyl)methyl-ethyl-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]azanium Openeye Name: (4-cyano-2-fluoro-phenyl)methyl-ethyl-[2-(isopropylamino)-2-oxo-ethyl]ammonium CAS Name: (4-cyano-2-fluorophenyl)methyl-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]ammonium IUPAC Name: (4-cyano-2-fluorophenyl)methyl-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium Traditional Name: (4-cyano-2-fluoro-benzyl)-ethyl-[2-(isopropylamino)-2-keto-ethyl]ammonium Formula: C15H21FN3O+ MolecularWeight: 278.345143

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=C(C=C(C=C1)C#N)F)CC(=O)NC(C)C

Isomeric SMILES

CC[NH+](CC1=C(C=C(C=C1)C#N)F)CC(=O)NC(C)C

InChI

InChI=1S/C15H20FN3O/c1-4-19(10-15(20)18-11(2)3)9-13-6-5-12(8-17)7-14(13)16/h5-7,11H,4,9-10H2,1-3H3,(H,18,20)/p+1