N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]sulfanyl-ethanamide

Systemtic Name: N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]sulfanyl-ethanamide Openeye Name: N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]sulfanyl-acetamide CAS Name: N-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]-2-[[3-(trifluoromethyl)phenyl]thio]acetamide IUPAC Name: N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide Traditional Name: N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-2-[[3-(trifluoromethyl)phenyl]thio]acetamide Formula: C20H22F3N2OS+ MolecularWeight: 395.46169

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)NC(=O)CSC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)NC(=O)CSC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H21F3N2OS/c21-20(22,23)16-4-3-5-18(12-16)27-14-19(26)24-17-8-6-15(7-9-17)13-25-10-1-2-11-25/h3-9,12H,1-2,10-11,13-14H2,(H,24,26)/p+1