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

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]ethanone Formula: C27H34N6O+2 MolecularWeight: 458.59846

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=NC=CC=N5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=NC=CC=N5

InChI

InChI=1S/C27H32N6O/c34-25(22-30-14-16-33(17-15-30)27-28-12-7-13-29-27)31-18-20-32(21-19-31)26(23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-13,26H,14-22H2/p+2