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

Systemtic Name: 2-[4-(1,3-benzoxazol-2-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(1,3-benzoxazol-2-yl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(1,3-benzoxazol-2-yl)-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-(1,3-benzoxazol-2-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(1,3-benzoxazol-2-yl)piperazin-1-ium-1-yl]acetamide Formula: C13H17N4O2+ MolecularWeight: 261.29968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N)C2=NC3=CC=CC=C3O2

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N)C2=NC3=CC=CC=C3O2

InChI

InChI=1S/C13H16N4O2/c14-12(18)9-16-5-7-17(8-6-16)13-15-10-3-1-2-4-11(10)19-13/h1-4H,5-9H2,(H2,14,18)/p+1