2-[bis(4-fluorophenyl)methylsulfanyl]-N-(1-propylpiperidin-1-ium-4-yl)ethanamide

Systemtic Name: 2-[bis(4-fluorophenyl)methylsulfanyl]-N-(1-propylpiperidin-1-ium-4-yl)ethanamide Openeye Name: 2-[bis(4-fluorophenyl)methylsulfanyl]-N-(1-propylpiperidin-1-ium-4-yl)acetamide CAS Name: 2-[bis(4-fluorophenyl)methylthio]-N-(1-propyl-4-piperidin-1-iumyl)acetamide IUPAC Name: 2-[bis(4-fluorophenyl)methylsulfanyl]-N-(1-propylpiperidin-1-ium-4-yl)acetamide Traditional Name: 2-[bis(4-fluorophenyl)methylthio]-N-(1-propylpiperidin-1-ium-4-yl)acetamide Formula: C23H29F2N2OS+ MolecularWeight: 419.550966

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC(=O)CSC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC(=O)CSC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H28F2N2OS/c1-2-13-27-14-11-21(12-15-27)26-22(28)16-29-23(17-3-7-19(24)8-4-17)18-5-9-20(25)10-6-18/h3-10,21,23H,2,11-16H2,1H3,(H,26,28)/p+1