2-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-N-(4,6-dimethoxypyrimidin-2-yl)ethanamide

Systemtic Name: 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-N-(4,6-dimethoxypyrimidin-2-yl)ethanamide Openeye Name: 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-N-(4,6-dimethoxypyrimidin-2-yl)acetamide CAS Name: 2-[4-(1,3-benzoxazol-2-yl)-1-piperidin-1-iumyl]-N-(4,6-dimethoxy-2-pyrimidinyl)acetamide IUPAC Name: 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-N-(4,6-dimethoxypyrimidin-2-yl)acetamide Traditional Name: 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-N-(4,6-dimethoxypyrimidin-2-yl)acetamide Formula: C20H24N5O4+ MolecularWeight: 398.43566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4O3)OC

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4O3)OC

InChI

InChI=1S/C20H23N5O4/c1-27-17-11-18(28-2)24-20(23-17)22-16(26)12-25-9-7-13(8-10-25)19-21-14-5-3-4-6-15(14)29-19/h3-6,11,13H,7-10,12H2,1-2H3,(H,22,23,24,26)/p+1