[(1S)-2-[(4-cyanophenyl)carbonylamino]-1-(3-fluorophenyl)ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[(4-cyanophenyl)carbonylamino]-1-(3-fluorophenyl)ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(4-cyanobenzoyl)amino]-1-(3-fluorophenyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(4-cyanophenyl)-oxomethyl]amino]-1-(3-fluorophenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(4-cyanobenzoyl)amino]-1-(3-fluorophenyl)ethyl]-dimethylazanium Traditional Name: [(1S)-2-[(4-cyanobenzoyl)amino]-1-(3-fluorophenyl)ethyl]-dimethyl-ammonium Formula: C18H19FN3O+ MolecularWeight: 312.361363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=CC=C(C=C1)C#N)C2=CC(=CC=C2)F

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=CC=C(C=C1)C#N)C2=CC(=CC=C2)F

InChI

InChI=1S/C18H18FN3O/c1-22(2)17(15-4-3-5-16(19)10-15)12-21-18(23)14-8-6-13(11-20)7-9-14/h3-10,17H,12H2,1-2H3,(H,21,23)/p+1/t17-/m1/s1