2-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-thiophen-2-ylethyl)ethanamide

Systemtic Name: 2-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-thiophen-2-ylethyl)ethanamide Openeye Name: 2-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-[2-(2-thienyl)ethyl]acetamide CAS Name: 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]-N-(2-thiophen-2-ylethyl)acetamide IUPAC Name: 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-thiophen-2-ylethyl)acetamide Traditional Name: 2-[4-(5-fluoro-2-methoxy-benzyl)piperazine-1,4-diium-1-yl]-N-[2-(2-thienyl)ethyl]acetamide Formula: C20H28FN3O2S+2 MolecularWeight: 393.518623

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C[NH+]2CC[NH+](CC2)CC(=O)NCCC3=CC=CS3

Isomeric SMILES

COC1=C(C=C(C=C1)F)C[NH+]2CC[NH+](CC2)CC(=O)NCCC3=CC=CS3

InChI

InChI=1S/C20H26FN3O2S/c1-26-19-5-4-17(21)13-16(19)14-23-8-10-24(11-9-23)15-20(25)22-7-6-18-3-2-12-27-18/h2-5,12-13H,6-11,14-15H2,1H3,(H,22,25)/p+2