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

Systemtic Name: 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C20H27N6O2+ MolecularWeight: 383.46738

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCN(CC2)C3=NC=CC=N3)C4=CC=CC=C4O

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCN(CC2)C3=NC=CC=N3)C4=CC=CC=C4O

InChI

InChI=1S/C20H26N6O2/c27-18-5-2-1-4-17(18)24-10-8-23(9-11-24)16-19(28)25-12-14-26(15-13-25)20-21-6-3-7-22-20/h1-7,27H,8-16H2/p+1