[(2S)-1-[(4-cyanophenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-1-[(4-cyanophenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[(4-cyanophenyl)carbamoyl]-2-methyl-propyl]ammonium CAS Name: [(2S)-1-(4-cyanoanilino)-3-methyl-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-(4-cyanoanilino)-3-methyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[(4-cyanophenyl)carbamoyl]-2-methyl-propyl]ammonium Formula: C12H16N3O+ MolecularWeight: 218.27494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=C(C=C1)C#N)[NH3+]

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=CC=C(C=C1)C#N)[NH3+]

InChI

InChI=1S/C12H15N3O/c1-8(2)11(14)12(16)15-10-5-3-9(7-13)4-6-10/h3-6,8,11H,14H2,1-2H3,(H,15,16)/p+1/t11-/m0/s1