1-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-thiophen-2-yl-ethanone

Systemtic Name: 1-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-thiophen-2-yl-ethanone Openeye Name: 1-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-(2-thienyl)ethanone CAS Name: 1-[4-[(4-fluorophenyl)methyl]-1-piperazin-4-iumyl]-2-thiophen-2-ylethanone IUPAC Name: 1-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-thiophen-2-ylethanone Traditional Name: 1-[4-(4-fluorobenzyl)piperazin-4-ium-1-yl]-2-(2-thienyl)ethanone Formula: C17H20FN2OS+ MolecularWeight: 319.416903

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)F)C(=O)CC3=CC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)F)C(=O)CC3=CC=CS3

InChI

InChI=1S/C17H19FN2OS/c18-15-5-3-14(4-6-15)13-19-7-9-20(10-8-19)17(21)12-16-2-1-11-22-16/h1-6,11H,7-10,12-13H2/p+1