4-[bis(4-fluorophenyl)methyl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[bis(4-fluorophenyl)methyl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]piperazin-4-ium-1-carboxamide Openeye Name: 4-[bis(4-fluorophenyl)methyl]-N-[2-(2-furylmethylsulfanyl)ethyl]piperazin-4-ium-1-carboxamide CAS Name: 4-[bis(4-fluorophenyl)methyl]-N-[2-(2-furanylmethylthio)ethyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[bis(4-fluorophenyl)methyl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-[bis(4-fluorophenyl)methyl]-N-[2-(2-furfurylthio)ethyl]piperazin-4-ium-1-carboxamide Formula: C25H28F2N3O2S+ MolecularWeight: 472.570526

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)NCCSCC4=CC=CO4

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)NCCSCC4=CC=CO4

InChI

InChI=1S/C25H27F2N3O2S/c26-21-7-3-19(4-8-21)24(20-5-9-22(27)10-6-20)29-12-14-30(15-13-29)25(31)28-11-17-33-18-23-2-1-16-32-23/h1-10,16,24H,11-15,17-18H2,(H,28,31)/p+1