3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]-N-(3-cyanothiophen-2-yl)propanamide

Systemtic Name: 3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]-N-(3-cyanothiophen-2-yl)propanamide Openeye Name: 3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]-N-(3-cyano-2-thienyl)propanamide CAS Name: 3-[4-[bis(4-fluorophenyl)methyl]-1-piperazin-1-iumyl]-N-(3-cyano-2-thiophenyl)propanamide IUPAC Name: 3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]-N-(3-cyanothiophen-2-yl)propanamide Traditional Name: 3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]-N-(3-cyano-2-thienyl)propionamide Formula: C25H25F2N4OS+ MolecularWeight: 467.554006

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NC2=C(C=CS2)C#N)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC2=C(C=CS2)C#N)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H24F2N4OS/c26-21-5-1-18(2-6-21)24(19-3-7-22(27)8-4-19)31-14-12-30(13-15-31)11-9-23(32)29-25-20(17-28)10-16-33-25/h1-8,10,16,24H,9,11-15H2,(H,29,32)/p+1