[(2S)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]-dimethyl-azanium

Systemtic Name: [(2S)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]-dimethyl-azanium Openeye Name: [(1S)-2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl]-dimethyl-ammonium CAS Name: [(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl]-dimethylammonium IUPAC Name: [(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl]-dimethylazanium Traditional Name: [(1S)-2-(4-cyanoanilino)-2-keto-1-methyl-ethyl]-dimethyl-ammonium Formula: C12H16N3O+ MolecularWeight: 218.27494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O/c1-9(15(2)3)12(16)14-11-6-4-10(8-13)5-7-11/h4-7,9H,1-3H3,(H,14,16)/p+1/t9-/m0/s1