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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCN(CC2)C3=NC=CC=N3)C4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCN(CC2)C3=NC=CC=N3)C4=CC=CC=C4Cl

InChI

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