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

Systemtic Name: 1-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-[4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-[4-(3-chlorobenzyl)piperazin-4-ium-1-yl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]ethanone Formula: C21H29ClN6O+2 MolecularWeight: 416.94756

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)Cl)C(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)Cl)C(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H27ClN6O/c22-19-4-1-3-18(15-19)16-25-7-11-27(12-8-25)20(29)17-26-9-13-28(14-10-26)21-23-5-2-6-24-21/h1-6,15H,7-14,16-17H2/p+2