N-(4-bromanyl-2-fluoranyl-phenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-[4-(2-thenyl)piperazine-1,4-diium-1-yl]acetamide Formula: C17H21BrFN3OS+2 MolecularWeight: 414.335543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CS2)CC(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CS2)CC(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C17H19BrFN3OS/c18-13-3-4-16(15(19)10-13)20-17(23)12-22-7-5-21(6-8-22)11-14-2-1-9-24-14/h1-4,9-10H,5-8,11-12H2,(H,20,23)/p+2