4-[bis(fluoranyl)methylsulfanyl]-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide

Systemtic Name: 4-[bis(fluoranyl)methylsulfanyl]-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Openeye Name: 4-(difluoromethylsulfanyl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide CAS Name: 4-(difluoromethylthio)-N-[(2R)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]benzamide IUPAC Name: 4-(difluoromethylsulfanyl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]benzamide Traditional Name: 4-(difluoromethylthio)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Formula: C20H23F2N2OS+ MolecularWeight: 377.471226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22F2N2OS/c21-20(22)26-17-10-8-16(9-11-17)19(25)23-14-18(24-12-4-5-13-24)15-6-2-1-3-7-15/h1-3,6-11,18,20H,4-5,12-14H2,(H,23,25)/p+1/t18-/m0/s1