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

Systemtic Name: N-[2-[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butanamide Openeye Name: N-[2-[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butanamide CAS Name: N-[2-[1-(2,1,3-benzoxadiazol-4-ylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]-4-phenylbutanamide IUPAC Name: N-[2-[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenylbutanamide Traditional Name: N-[2-[1-(benzofurazan-4-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butyramide Formula: C25H29N6O2+ MolecularWeight: 445.53676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CCCC3=CC=CC=C3)CC4=CC=CC5=NON=C54

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CCCC3=CC=CC=C3)CC4=CC=CC5=NON=C54

InChI

InChI=1S/C25H28N6O2/c32-24(11-4-8-19-6-2-1-3-7-19)27-23-12-15-26-31(23)21-13-16-30(17-14-21)18-20-9-5-10-22-25(20)29-33-28-22/h1-3,5-7,9-10,12,15,21H,4,8,11,13-14,16-18H2,(H,27,32)/p+1