3-[1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-1-ium-4-yl]-N-(2-chlorophenyl)propanamide

Systemtic Name: 3-[1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-1-ium-4-yl]-N-(2-chlorophenyl)propanamide Openeye Name: 3-[1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-1-ium-4-yl]-N-(2-chlorophenyl)propanamide CAS Name: 3-[1-(2,1,3-benzoxadiazol-5-ylmethyl)-4-piperidin-1-iumyl]-N-(2-chlorophenyl)propanamide IUPAC Name: 3-[1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-1-ium-4-yl]-N-(2-chlorophenyl)propanamide Traditional Name: 3-[1-(benzofurazan-5-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=CC4=NON=C4C=C3

Isomeric SMILES

C1C[NH+](CCC1CCC(=O)NC2=CC=CC=C2Cl)CC3=CC4=NON=C4C=C3

InChI

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