5-phenyl-2-[2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethyliminomethyl]cyclohexane-1,3-dione

Systemtic Name: 5-phenyl-2-[2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethyliminomethyl]cyclohexane-1,3-dione Openeye Name: 2-[2-(4-benzylpiperazine-1,4-diium-1-yl)ethyliminomethyl]-5-phenyl-cyclohexane-1,3-dione CAS Name: 5-phenyl-2-[2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]ethyliminomethyl]cyclohexane-1,3-dione IUPAC Name: 2-[2-(4-benzylpiperazine-1,4-diium-1-yl)ethyliminomethyl]-5-phenylcyclohexane-1,3-dione Traditional Name: 2-[2-(4-benzylpiperazine-1,4-diium-1-yl)ethyliminomethyl]-5-phenyl-cyclohexane-1,3-quinone Formula: C26H33N3O2+2 MolecularWeight: 419.55912

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCN=CC2C(=O)CC(CC2=O)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CC[NH+]1CCN=CC2C(=O)CC(CC2=O)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H31N3O2/c30-25-17-23(22-9-5-2-6-10-22)18-26(31)24(25)19-27-11-12-28-13-15-29(16-14-28)20-21-7-3-1-4-8-21/h1-10,19,23-24H,11-18,20H2/p+2