5-(4-fluorophenyl)-2-(2-piperazine-1,4-diium-1-ylethyliminomethyl)cyclohexane-1,3-dione

Systemtic Name: 5-(4-fluorophenyl)-2-(2-piperazine-1,4-diium-1-ylethyliminomethyl)cyclohexane-1,3-dione Openeye Name: 5-(4-fluorophenyl)-2-(2-piperazine-1,4-diium-1-ylethyliminomethyl)cyclohexane-1,3-dione CAS Name: 5-(4-fluorophenyl)-2-[2-(1-piperazine-1,4-diiumyl)ethyliminomethyl]cyclohexane-1,3-dione IUPAC Name: 5-(4-fluorophenyl)-2-(2-piperazine-1,4-diium-1-ylethyliminomethyl)cyclohexane-1,3-dione Traditional Name: 5-(4-fluorophenyl)-2-(2-piperazine-1,4-diium-1-ylethyliminomethyl)cyclohexane-1,3-quinone Formula: C19H26FN3O2+2 MolecularWeight: 347.427043

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH2+]1)CCN=CC2C(=O)CC(CC2=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1C[NH+](CC[NH2+]1)CCN=CC2C(=O)CC(CC2=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H24FN3O2/c20-16-3-1-14(2-4-16)15-11-18(24)17(19(25)12-15)13-22-7-10-23-8-5-21-6-9-23/h1-4,13,15,17,21H,5-12H2/p+2