2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone

Systemtic Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone Openeye Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 1-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-1-[4-(2-thenoyl)piperazino]ethanone Formula: C20H27N5O2S+2 MolecularWeight: 401.52568

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCN(CC2)C(=O)C3=CC=CS3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCN(CC2)C(=O)C3=CC=CS3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H25N5O2S/c26-19(16-22-7-9-23(10-8-22)18-5-1-2-6-21-18)24-11-13-25(14-12-24)20(27)17-4-3-15-28-17/h1-6,15H,7-14,16H2/p+2