N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-2-[3-(trifluoromethyl)phenyl]sulfanyl-ethanamide

Systemtic Name: N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-2-[3-(trifluoromethyl)phenyl]sulfanyl-ethanamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-[3-(trifluoromethyl)phenyl]sulfanyl-acetamide CAS Name: N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-2-[[3-(trifluoromethyl)phenyl]thio]acetamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-[[3-(trifluoromethyl)phenyl]thio]acetamide Formula: C21H24F3N2OS+ MolecularWeight: 409.48827

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)CSC2=CC=CC(=C2)C(F)(F)F)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1NC(=O)CSC2=CC=CC(=C2)C(F)(F)F)CC3=CC=CC=C3

InChI

InChI=1S/C21H23F3N2OS/c22-21(23,24)17-7-4-8-19(13-17)28-15-20(27)25-18-9-11-26(12-10-18)14-16-5-2-1-3-6-16/h1-8,13,18H,9-12,14-15H2,(H,25,27)/p+1