1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanone

Systemtic Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanone Openeye Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]ethanone CAS Name: 1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-2-[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]ethanone IUPAC Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanone Traditional Name: 1-(4-pyridin-1-ium-2-ylpiperazino)-2-[4-(2-thenyl)piperazine-1,4-diium-1-yl]ethanone Formula: C20H30N5OS+3 MolecularWeight: 388.5501

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CS2)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CS2)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H27N5OS/c26-20(25-13-11-24(12-14-25)19-5-1-2-6-21-19)17-23-9-7-22(8-10-23)16-18-4-3-15-27-18/h1-6,15H,7-14,16-17H2/p+3