N-(3-cyanothiophen-2-yl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-(3-cyano-2-thienyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-ium-1-yl]acetamide CAS Name: N-(3-cyano-2-thiophenyl)-2-[(3R)-3-(trifluoromethyl)-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(3-cyanothiophen-2-yl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-(3-cyano-2-thienyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-ium-1-yl]acetamide Formula: C13H15F3N3OS+ MolecularWeight: 318.33791

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)NC2=C(C=CS2)C#N)C(F)(F)F

Isomeric SMILES

C1C[C@H](C[NH+](C1)CC(=O)NC2=C(C=CS2)C#N)C(F)(F)F

InChI

InChI=1S/C13H14F3N3OS/c14-13(15,16)10-2-1-4-19(7-10)8-11(20)18-12-9(6-17)3-5-21-12/h3,5,10H,1-2,4,7-8H2,(H,18,20)/p+1/t10-/m1/s1