2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2-fluoranyl-4-methyl-phenyl)ethanamide

Systemtic Name: 2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2-fluoranyl-4-methyl-phenyl)ethanamide Openeye Name: 2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2-fluoro-4-methyl-phenyl)acetamide CAS Name: 2-[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]-N-(2-fluoro-4-methylphenyl)acetamide IUPAC Name: 2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2-fluoro-4-methylphenyl)acetamide Traditional Name: 2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2-fluoro-4-methyl-phenyl)acetamide Formula: C16H24FN2O+ MolecularWeight: 279.372963

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC(=O)NC2=C(C=C(C=C2)C)F)C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)CC(=O)NC2=C(C=C(C=C2)C)F)C

InChI

InChI=1S/C16H23FN2O/c1-11-4-5-15(14(17)7-11)18-16(20)10-19-8-12(2)6-13(3)9-19/h4-5,7,12-13H,6,8-10H2,1-3H3,(H,18,20)/p+1/t12-,13-/m1/s1