1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-[4-(3-chlorophenyl)-1-piperazinyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-[4-(3-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=C3)Cl)C4=NC=CC=N4

Isomeric SMILES

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

InChI

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