2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C21H27N6O2+ MolecularWeight: 395.47808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N6O2/c28-19(25-13-15-27(16-14-25)21-22-7-4-8-23-21)17-24-9-11-26(12-10-24)20(29)18-5-2-1-3-6-18/h1-8H,9-17H2/p+1