1-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-thiophen-2-yl-ethanone

Systemtic Name: 1-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-thiophen-2-yl-ethanone Openeye Name: 1-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-(2-thienyl)ethanone CAS Name: 1-[4-[(3-fluorophenyl)methyl]-1-piperazin-4-iumyl]-2-thiophen-2-ylethanone IUPAC Name: 1-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-thiophen-2-ylethanone Traditional Name: 1-[4-(3-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(=CC=C2)F)C(=O)CC3=CC=CS3

Isomeric SMILES

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

InChI

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