N-[2-[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-ethanamide

Systemtic Name: N-[2-[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-ethanamide Openeye Name: N-[2-[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-acetamide CAS Name: N-[2-[1-(2,1,3-benzoxadiazol-4-ylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]-2-phenylacetamide IUPAC Name: N-[2-[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenylacetamide Traditional Name: N-[2-[1-(benzofurazan-4-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-acetamide Formula: C23H25N6O2+ MolecularWeight: 417.4836

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CC3=CC=CC=C3)CC4=CC=CC5=NON=C54

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CC3=CC=CC=C3)CC4=CC=CC5=NON=C54

InChI

InChI=1S/C23H24N6O2/c30-22(15-17-5-2-1-3-6-17)25-21-9-12-24-29(21)19-10-13-28(14-11-19)16-18-7-4-8-20-23(18)27-31-26-20/h1-9,12,19H,10-11,13-16H2,(H,25,30)/p+1