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

Systemtic Name: [(2S)-1-[(4-cyanophenyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1S)-1-[(4-cyanophenyl)carbamoyl]-3-methyl-butyl]ammonium CAS Name: [(2S)-1-(4-cyanoanilino)-4-methyl-1-oxopentan-2-yl]ammonium IUPAC Name: [(2S)-1-(4-cyanoanilino)-4-methyl-1-oxopentan-2-yl]azanium Traditional Name: [(1S)-1-[(4-cyanophenyl)carbamoyl]-3-methyl-butyl]ammonium Formula: C13H18N3O+ MolecularWeight: 232.30152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O/c1-9(2)7-12(15)13(17)16-11-5-3-10(8-14)4-6-11/h3-6,9,12H,7,15H2,1-2H3,(H,16,17)/p+1/t12-/m0/s1