2-[4-(3-fluorophenyl)carbonylpiperidin-1-ium-1-yl]-N-(2-methyl-5-nitro-phenyl)ethanamide

Systemtic Name: 2-[4-(3-fluorophenyl)carbonylpiperidin-1-ium-1-yl]-N-(2-methyl-5-nitro-phenyl)ethanamide Openeye Name: 2-[4-(3-fluorobenzoyl)piperidin-1-ium-1-yl]-N-(2-methyl-5-nitro-phenyl)acetamide CAS Name: 2-[4-[(3-fluorophenyl)-oxomethyl]-1-piperidin-1-iumyl]-N-(2-methyl-5-nitrophenyl)acetamide IUPAC Name: 2-[4-(3-fluorobenzoyl)piperidin-1-ium-1-yl]-N-(2-methyl-5-nitrophenyl)acetamide Traditional Name: 2-[4-(3-fluorobenzoyl)piperidin-1-ium-1-yl]-N-(2-methyl-5-nitro-phenyl)acetamide Formula: C21H23FN3O4+ MolecularWeight: 400.423423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCC(CC2)C(=O)C3=CC(=CC=C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCC(CC2)C(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C21H22FN3O4/c1-14-5-6-18(25(28)29)12-19(14)23-20(26)13-24-9-7-15(8-10-24)21(27)16-3-2-4-17(22)11-16/h2-6,11-12,15H,7-10,13H2,1H3,(H,23,26)/p+1