2-[4-(1,3-benzoxazol-2-yl)piperazin-1-ium-1-yl]-N-(2-methylpropyl)ethanamide

Systemtic Name: 2-[4-(1,3-benzoxazol-2-yl)piperazin-1-ium-1-yl]-N-(2-methylpropyl)ethanamide Openeye Name: 2-[4-(1,3-benzoxazol-2-yl)piperazin-1-ium-1-yl]-N-isobutyl-acetamide CAS Name: 2-[4-(1,3-benzoxazol-2-yl)-1-piperazin-1-iumyl]-N-(2-methylpropyl)acetamide IUPAC Name: 2-[4-(1,3-benzoxazol-2-yl)piperazin-1-ium-1-yl]-N-(2-methylpropyl)acetamide Traditional Name: 2-[4-(1,3-benzoxazol-2-yl)piperazin-1-ium-1-yl]-N-isobutyl-acetamide Formula: C17H25N4O2+ MolecularWeight: 317.406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C[NH+]1CCN(CC1)C2=NC3=CC=CC=C3O2

Isomeric SMILES

CC(C)CNC(=O)C[NH+]1CCN(CC1)C2=NC3=CC=CC=C3O2

InChI

InChI=1S/C17H24N4O2/c1-13(2)11-18-16(22)12-20-7-9-21(10-8-20)17-19-14-5-3-4-6-15(14)23-17/h3-6,13H,7-12H2,1-2H3,(H,18,22)/p+1