N-[2-[1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-fluoranyl-benzamide

Systemtic Name: N-[2-[1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-fluoranyl-benzamide Openeye Name: N-[2-[1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-fluoro-benzamide CAS Name: N-[2-[1-(2,1,3-benzoxadiazol-5-ylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]-3-fluorobenzamide IUPAC Name: N-[2-[1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-fluorobenzamide Traditional Name: N-[2-[1-(benzofurazan-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-fluoro-benzamide Formula: C22H22FN6O2+ MolecularWeight: 421.447483

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CC(=CC=C3)F)CC4=CC5=NON=C5C=C4

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CC(=CC=C3)F)CC4=CC5=NON=C5C=C4

InChI

InChI=1S/C22H21FN6O2/c23-17-3-1-2-16(13-17)22(30)25-21-6-9-24-29(21)18-7-10-28(11-8-18)14-15-4-5-19-20(12-15)27-31-26-19/h1-6,9,12-13,18H,7-8,10-11,14H2,(H,25,30)/p+1