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

Systemtic Name: N-[2-[1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-chloranyl-benzamide Openeye Name: N-[2-[1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-chloro-benzamide CAS Name: N-[2-[1-(2,1,3-benzoxadiazol-5-ylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]-2-chlorobenzamide IUPAC Name: N-[2-[1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-chlorobenzamide Traditional Name: N-[2-[1-(benzofurazan-5-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=CC5=NON=C5C=C4

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CC=CC=C3Cl)CC4=CC5=NON=C5C=C4

InChI

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