2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C19H27N7O+2 MolecularWeight: 369.46398

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCN(CC2)C3=NC=CC=N3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCN(CC2)C3=NC=CC=N3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C19H25N7O/c27-18(25-12-14-26(15-13-25)19-21-6-3-7-22-19)16-23-8-10-24(11-9-23)17-4-1-2-5-20-17/h1-7H,8-16H2/p+2