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

Systemtic Name: N-[2-[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenyl-propanamide Openeye Name: N-[2-[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenyl-propanamide CAS Name: N-[2-[1-(2,1,3-benzoxadiazol-4-ylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]-3-phenylpropanamide IUPAC Name: N-[2-[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenylpropanamide Traditional Name: N-[2-[1-(benzofurazan-4-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenyl-propionamide Formula: C24H27N6O2+ MolecularWeight: 431.51018

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CCC3=CC=CC=C3)CC4=CC=CC5=NON=C54

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CCC3=CC=CC=C3)CC4=CC=CC5=NON=C54

InChI

InChI=1S/C24H26N6O2/c31-23(10-9-18-5-2-1-3-6-18)26-22-11-14-25-30(22)20-12-15-29(16-13-20)17-19-7-4-8-21-24(19)28-32-27-21/h1-8,11,14,20H,9-10,12-13,15-17H2,(H,26,31)/p+1