butyl-[(2R)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]-ethyl-azanium

Systemtic Name: butyl-[(2R)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]-ethyl-azanium Openeye Name: butyl-[(1R)-2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl]-ethyl-ammonium CAS Name: butyl-[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl]-ethylammonium IUPAC Name: butyl-[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl]-ethylazanium Traditional Name: butyl-[(1R)-2-(2-cyanoanilino)-2-keto-1-methyl-ethyl]-ethyl-ammonium Formula: C16H24N3O+ MolecularWeight: 274.38126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CC)C(C)C(=O)NC1=CC=CC=C1C#N

Isomeric SMILES

CCCC[NH+](CC)[C@H](C)C(=O)NC1=CC=CC=C1C#N

InChI

InChI=1S/C16H23N3O/c1-4-6-11-19(5-2)13(3)16(20)18-15-10-8-7-9-14(15)12-17/h7-10,13H,4-6,11H2,1-3H3,(H,18,20)/p+1/t13-/m1/s1