N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-3,5-bis(trifluoromethyl)benzamide

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-3,5-bis(trifluoromethyl)benzamide Openeye Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-3,5-bis(trifluoromethyl)benzamide CAS Name: N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-3,5-bis(trifluoromethyl)benzamide IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-3,5-bis(trifluoromethyl)benzamide Traditional Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-3,5-bis(trifluoromethyl)benzamide Formula: C20H21F6N2O2+ MolecularWeight: 435.383359

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=CO3

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CNC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=CO3

InChI

InChI=1S/C20H20F6N2O2/c21-19(22,23)14-9-13(10-15(11-14)20(24,25)26)18(29)27-12-16(17-5-4-8-30-17)28-6-2-1-3-7-28/h4-5,8-11,16H,1-3,6-7,12H2,(H,27,29)/p+1/t16-/m0/s1