2-[4-[4-[bis(fluoranyl)methylsulfanyl]phenyl]carbonylpiperazin-1-ium-1-yl]-N-butyl-ethanamide

Systemtic Name: 2-[4-[4-[bis(fluoranyl)methylsulfanyl]phenyl]carbonylpiperazin-1-ium-1-yl]-N-butyl-ethanamide Openeye Name: N-butyl-2-[4-[4-(difluoromethylsulfanyl)benzoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-butyl-2-[4-[[4-(difluoromethylthio)phenyl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-butyl-2-[4-[4-(difluoromethylsulfanyl)benzoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-butyl-2-[4-[4-(difluoromethylthio)benzoyl]piperazin-1-ium-1-yl]acetamide Formula: C18H26F2N3O2S+ MolecularWeight: 386.479746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)SC(F)F

Isomeric SMILES

CCCCNC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)SC(F)F

InChI

InChI=1S/C18H25F2N3O2S/c1-2-3-8-21-16(24)13-22-9-11-23(12-10-22)17(25)14-4-6-15(7-5-14)26-18(19)20/h4-7,18H,2-3,8-13H2,1H3,(H,21,24)/p+1