2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[4-[(5-chloro-2-thienyl)methyl]piperazine-1,4-diium-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazine-1,4-diiumyl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[4-[(5-chloro-2-thienyl)methyl]piperazine-1,4-diium-1-yl]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C19H27ClN6OS+2 MolecularWeight: 422.97528

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=C(S2)Cl)CC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=C(S2)Cl)CC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C19H25ClN6OS/c20-17-3-2-16(28-17)14-23-6-8-24(9-7-23)15-18(27)25-10-12-26(13-11-25)19-21-4-1-5-22-19/h1-5H,6-15H2/p+2