4-[bis(4-fluorophenyl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[bis(4-fluorophenyl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[bis(4-fluorophenyl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[bis(4-fluorophenyl)methyl]-N-[3-(4-morpholin-4-iumyl)propyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[bis(4-fluorophenyl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-[bis(4-fluorophenyl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)piperazin-4-ium-1-carbothioamide Formula: C25H34F2N4OS+2 MolecularWeight: 476.625466

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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(=S)NCCC[NH+]4CCOCC4

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=S)NCCC[NH+]4CCOCC4

InChI

InChI=1S/C25H32F2N4OS/c26-22-6-2-20(3-7-22)24(21-4-8-23(27)9-5-21)30-12-14-31(15-13-30)25(33)28-10-1-11-29-16-18-32-19-17-29/h2-9,24H,1,10-19H2,(H,28,33)/p+2