N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-3-yl-ethyl]-3-(trifluoromethyl)benzamide

Systemtic Name: N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-3-yl-ethyl]-3-(trifluoromethyl)benzamide Openeye Name: N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(3-thienyl)ethyl]-3-(trifluoromethyl)benzamide CAS Name: N-[(2R)-2-(1-pyrrolidin-1-iumyl)-2-(3-thiophenyl)ethyl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-3-ylethyl]-3-(trifluoromethyl)benzamide Traditional Name: N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(3-thienyl)ethyl]-3-(trifluoromethyl)benzamide Formula: C18H20F3N2OS+ MolecularWeight: 369.42441

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=CC(=CC=C2)C(F)(F)F)C3=CSC=C3

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2=CC(=CC=C2)C(F)(F)F)C3=CSC=C3

InChI

InChI=1S/C18H19F3N2OS/c19-18(20,21)15-5-3-4-13(10-15)17(24)22-11-16(14-6-9-25-12-14)23-7-1-2-8-23/h3-6,9-10,12,16H,1-2,7-8,11H2,(H,22,24)/p+1/t16-/m0/s1