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

Systemtic Name: 2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(4-o-phenetylpiperazin-1-ium-1-yl)-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C22H31N6O2+ MolecularWeight: 411.52054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H30N6O2/c1-2-30-20-7-4-3-6-19(20)26-12-10-25(11-13-26)18-21(29)27-14-16-28(17-15-27)22-23-8-5-9-24-22/h3-9H,2,10-18H2,1H3/p+1