2-fluoranyl-N-[3-[[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide

Systemtic Name: 2-fluoranyl-N-[3-[[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide Openeye Name: 2-fluoro-N-[3-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide CAS Name: 2-fluoro-N-[3-[[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide IUPAC Name: 2-fluoro-N-[3-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide Traditional Name: 2-fluoro-N-[3-[[4-(2-furoyl)piperazin-1-ium-1-yl]methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide Formula: C25H27FN3O3S+ MolecularWeight: 468.563583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3F)C[NH+]4CCN(CC4)C(=O)C5=CC=CO5

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3F)C[NH+]4CCN(CC4)C(=O)C5=CC=CO5

InChI

InChI=1S/C25H26FN3O3S/c26-20-8-3-1-7-18(20)23(30)27-24-19(17-6-2-4-10-22(17)33-24)16-28-11-13-29(14-12-28)25(31)21-9-5-15-32-21/h1,3,5,7-9,15H,2,4,6,10-14,16H2,(H,27,30)/p+1