3-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-1-methyl-1-(1-methylpiperidin-1-ium-4-yl)thiourea

Systemtic Name: 3-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-1-methyl-1-(1-methylpiperidin-1-ium-4-yl)thiourea Openeye Name: 3-[4-(difluoromethylsulfanyl)phenyl]-1-methyl-1-(1-methylpiperidin-1-ium-4-yl)thiourea CAS Name: 3-[4-(difluoromethylthio)phenyl]-1-methyl-1-(1-methyl-4-piperidin-1-iumyl)thiourea IUPAC Name: 3-[4-(difluoromethylsulfanyl)phenyl]-1-methyl-1-(1-methylpiperidin-1-ium-4-yl)thiourea Traditional Name: 3-[4-(difluoromethylthio)phenyl]-1-methyl-1-(1-methylpiperidin-1-ium-4-yl)thiourea Formula: C15H22F2N3S2+ MolecularWeight: 346.482086

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)C(=S)NC2=CC=C(C=C2)SC(F)F

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)C(=S)NC2=CC=C(C=C2)SC(F)F

InChI

InChI=1S/C15H21F2N3S2/c1-19-9-7-12(8-10-19)20(2)15(21)18-11-3-5-13(6-4-11)22-14(16)17/h3-6,12,14H,7-10H2,1-2H3,(H,18,21)/p+1