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

Systemtic Name: [(1S)-1-(2-chlorophenyl)-2-[(4-cyanophenyl)carbonylamino]ethyl]-dimethyl-azanium Openeye Name: [(1S)-1-(2-chlorophenyl)-2-[(4-cyanobenzoyl)amino]ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-(2-chlorophenyl)-2-[[(4-cyanophenyl)-oxomethyl]amino]ethyl]-dimethylammonium IUPAC Name: [(1S)-1-(2-chlorophenyl)-2-[(4-cyanobenzoyl)amino]ethyl]-dimethylazanium Traditional Name: [(1S)-1-(2-chlorophenyl)-2-[(4-cyanobenzoyl)amino]ethyl]-dimethyl-ammonium Formula: C18H19ClN3O+ MolecularWeight: 328.81596

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=CC=C(C=C1)C#N)C2=CC=CC=C2Cl

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=CC=C(C=C1)C#N)C2=CC=CC=C2Cl

InChI

InChI=1S/C18H18ClN3O/c1-22(2)17(15-5-3-4-6-16(15)19)12-21-18(23)14-9-7-13(11-20)8-10-14/h3-10,17H,12H2,1-2H3,(H,21,23)/p+1/t17-/m1/s1