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

Systemtic Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone Openeye Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-1-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-[4-(2-thenoyl)piperazino]ethanone Formula: C21H26FN4O2S+ MolecularWeight: 417.520143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCN(CC2)C(=O)C3=CC=CS3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCN(CC2)C(=O)C3=CC=CS3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H25FN4O2S/c22-17-3-5-18(6-4-17)24-9-7-23(8-10-24)16-20(27)25-11-13-26(14-12-25)21(28)19-2-1-15-29-19/h1-6,15H,7-14,16H2/p+1