3-[4-(diphenylmethyl)piperazin-1-ium-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[4-(diphenylmethyl)piperazin-1-ium-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-(4-benzhydrylpiperazin-1-ium-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[4-(diphenylmethyl)-1-piperazin-1-iumyl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-benzhydrylpiperazin-1-ium-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-(4-benzhydrylpiperazin-1-ium-1-yl)-1-[4-(2-pyrimidyl)piperazino]propan-1-one Formula: C28H35N6O+ MolecularWeight: 471.6171

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)N2CCN(CC2)C3=NC=CC=N3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)N2CCN(CC2)C3=NC=CC=N3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H34N6O/c35-26(32-20-22-34(23-21-32)28-29-13-7-14-30-28)12-15-31-16-18-33(19-17-31)27(24-8-3-1-4-9-24)25-10-5-2-6-11-25/h1-11,13-14,27H,12,15-23H2/p+1