1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-4-(4-pyridin-2-ylpiperazin-1-yl)butane-1,4-dione

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-4-(4-pyridin-2-ylpiperazin-1-yl)butane-1,4-dione Openeye Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-4-[4-(2-pyridyl)piperazin-1-yl]butane-1,4-dione CAS Name: 1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-4-[4-(2-pyridinyl)-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-4-(4-pyridin-2-ylpiperazin-1-yl)butane-1,4-dione Traditional Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-4-[4-(2-pyridyl)piperazino]butane-1,4-dione Formula: C30H36N5O2+ MolecularWeight: 498.63914

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCC(=O)N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCC(=O)N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C30H35N5O2/c36-28(33-19-17-32(18-20-33)27-13-7-8-16-31-27)14-15-29(37)34-21-23-35(24-22-34)30(25-9-3-1-4-10-25)26-11-5-2-6-12-26/h1-13,16,30H,14-15,17-24H2/p+1