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

Systemtic Name: 3-[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-1-ium-4-yl]-N-(2-chlorophenyl)propanamide Openeye Name: 3-[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-1-ium-4-yl]-N-(2-chlorophenyl)propanamide CAS Name: 3-[1-(2,1,3-benzoxadiazol-4-ylmethyl)-4-piperidin-1-iumyl]-N-(2-chlorophenyl)propanamide IUPAC Name: 3-[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-1-ium-4-yl]-N-(2-chlorophenyl)propanamide Traditional Name: 3-[1-(benzofurazan-4-ylmethyl)piperidin-1-ium-4-yl]-N-(2-chlorophenyl)propionamide Formula: C21H24ClN4O2+ MolecularWeight: 399.89386

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CCC(=O)NC2=CC=CC=C2Cl)CC3=CC=CC4=NON=C43

Isomeric SMILES

C1C[NH+](CCC1CCC(=O)NC2=CC=CC=C2Cl)CC3=CC=CC4=NON=C43

InChI

InChI=1S/C21H23ClN4O2/c22-17-5-1-2-6-18(17)23-20(27)9-8-15-10-12-26(13-11-15)14-16-4-3-7-19-21(16)25-28-24-19/h1-7,15H,8-14H2,(H,23,27)/p+1