[2-[[2-(3-methylbutanoylamino)phenyl]amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: [2-[[2-(3-methylbutanoylamino)phenyl]amino]-2-oxidanylidene-ethyl]azanium Openeye Name: [2-[2-(3-methylbutanoylamino)anilino]-2-oxo-ethyl]ammonium CAS Name: [2-[2-[(3-methyl-1-oxobutyl)amino]anilino]-2-oxoethyl]ammonium IUPAC Name: [2-[2-(3-methylbutanoylamino)anilino]-2-oxoethyl]azanium Traditional Name: [2-[2-(isovalerylamino)anilino]-2-keto-ethyl]ammonium Formula: C13H20N3O2+ MolecularWeight: 250.3168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=CC=C1NC(=O)C[NH3+]

Isomeric SMILES

CC(C)CC(=O)NC1=CC=CC=C1NC(=O)C[NH3+]

InChI

InChI=1S/C13H19N3O2/c1-9(2)7-12(17)15-10-5-3-4-6-11(10)16-13(18)8-14/h3-6,9H,7-8,14H2,1-2H3,(H,15,17)(H,16,18)/p+1