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

Systemtic Name: N-[2-[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-chloranyl-benzamide Openeye Name: N-[2-[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-chloro-benzamide CAS Name: N-[2-[1-(2,1,3-benzoxadiazol-4-ylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]-2-chlorobenzamide IUPAC Name: N-[2-[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-chlorobenzamide Traditional Name: N-[2-[1-(benzofurazan-4-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-chloro-benzamide Formula: C22H22ClN6O2+ MolecularWeight: 437.90208

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CC=CC=C3Cl)CC4=CC=CC5=NON=C54

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CC=CC=C3Cl)CC4=CC=CC5=NON=C54

InChI

InChI=1S/C22H21ClN6O2/c23-18-6-2-1-5-17(18)22(30)25-20-8-11-24-29(20)16-9-12-28(13-10-16)14-15-4-3-7-19-21(15)27-31-26-19/h1-8,11,16H,9-10,12-14H2,(H,25,30)/p+1