N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]-4-(trifluoromethyloxy)benzamide

Systemtic Name: N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]-4-(trifluoromethyloxy)benzamide Openeye Name: N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]-4-(trifluoromethoxy)benzamide CAS Name: N-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]-4-(trifluoromethoxy)benzamide IUPAC Name: N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]-4-(trifluoromethoxy)benzamide Traditional Name: N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]-4-(trifluoromethoxy)benzamide Formula: C18H20F3N2O2S+ MolecularWeight: 385.42381

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=CC=C(C=C2)OC(F)(F)F)C3=CC=CS3

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2=CC=C(C=C2)OC(F)(F)F)C3=CC=CS3

InChI

InChI=1S/C18H19F3N2O2S/c19-18(20,21)25-14-7-5-13(6-8-14)17(24)22-12-15(16-4-3-11-26-16)23-9-1-2-10-23/h3-8,11,15H,1-2,9-10,12H2,(H,22,24)/p+1/t15-/m0/s1