2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C21H30N6O+2 MolecularWeight: 382.5025

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H28N6O/c28-20(26-13-15-27(16-14-26)21-22-7-4-8-23-21)18-25-11-9-24(10-12-25)17-19-5-2-1-3-6-19/h1-8H,9-18H2/p+2