[4-[[2-ethyl-5-(3-methylbutanoylamino)phenyl]amino]-4-oxidanylidene-butyl]azanium

Systemtic Name: [4-[[2-ethyl-5-(3-methylbutanoylamino)phenyl]amino]-4-oxidanylidene-butyl]azanium Openeye Name: [4-[2-ethyl-5-(3-methylbutanoylamino)anilino]-4-oxo-butyl]ammonium CAS Name: [4-[2-ethyl-5-[(3-methyl-1-oxobutyl)amino]anilino]-4-oxobutyl]ammonium IUPAC Name: [4-[2-ethyl-5-(3-methylbutanoylamino)anilino]-4-oxobutyl]azanium Traditional Name: [4-[2-ethyl-5-(isovalerylamino)anilino]-4-keto-butyl]ammonium Formula: C17H28N3O2+ MolecularWeight: 306.42312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)NC(=O)CC(C)C)NC(=O)CCC[NH3+]

Isomeric SMILES

CCC1=C(C=C(C=C1)NC(=O)CC(C)C)NC(=O)CCC[NH3+]

InChI

InChI=1S/C17H27N3O2/c1-4-13-7-8-14(19-17(22)10-12(2)3)11-15(13)20-16(21)6-5-9-18/h7-8,11-12H,4-6,9-10,18H2,1-3H3,(H,19,22)(H,20,21)/p+1