2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[4-[(5-bromo-2-thienyl)methyl]piperazine-1,4-diium-1-yl]-N-(4-fluorophenyl)acetamide CAS Name: 2-[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazine-1,4-diiumyl]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[4-[(5-bromothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[4-[(5-bromo-2-thienyl)methyl]piperazine-1,4-diium-1-yl]-N-(4-fluorophenyl)acetamide Formula: C17H21BrFN3OS+2 MolecularWeight: 414.335543

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=C(S2)Br)CC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=C(S2)Br)CC(=O)NC3=CC=C(C=C3)F

InChI

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