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

Systemtic Name: 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-[4-(2-chlorophenyl)-1-piperazinyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-[4-(2-chlorophenyl)piperazino]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]ethanone Formula: C20H26ClN6O+ MolecularWeight: 401.91304

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCN(CC2)C3=CC=CC=C3Cl)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCN(CC2)C3=CC=CC=C3Cl)C4=NC=CC=N4

InChI

InChI=1S/C20H25ClN6O/c21-17-4-1-2-5-18(17)25-12-14-26(15-13-25)19(28)16-24-8-10-27(11-9-24)20-22-6-3-7-23-20/h1-7H,8-16H2/p+1