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

Systemtic Name: 2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[4-(o-tolylmethyl)piperazine-1,4-diium-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[4-[(2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[4-(2-methylbenzyl)piperazine-1,4-diium-1-yl]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C22H32N6O+2 MolecularWeight: 396.52908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H30N6O/c1-19-5-2-3-6-20(19)17-25-9-11-26(12-10-25)18-21(29)27-13-15-28(16-14-27)22-23-7-4-8-24-22/h2-8H,9-18H2,1H3/p+2