2-[2-(4-ethanoylpiperazin-1-ium-1-yl)ethyliminomethyl]-5-(4-fluorophenyl)cyclohexane-1,3-dione

Systemtic Name: 2-[2-(4-ethanoylpiperazin-1-ium-1-yl)ethyliminomethyl]-5-(4-fluorophenyl)cyclohexane-1,3-dione Openeye Name: 2-[2-(4-acetylpiperazin-1-ium-1-yl)ethyliminomethyl]-5-(4-fluorophenyl)cyclohexane-1,3-dione CAS Name: 2-[2-(4-acetyl-1-piperazin-1-iumyl)ethyliminomethyl]-5-(4-fluorophenyl)cyclohexane-1,3-dione IUPAC Name: 2-[2-(4-acetylpiperazin-1-ium-1-yl)ethyliminomethyl]-5-(4-fluorophenyl)cyclohexane-1,3-dione Traditional Name: 2-[2-(4-acetylpiperazin-1-ium-1-yl)ethyliminomethyl]-5-(4-fluorophenyl)cyclohexane-1,3-quinone Formula: C21H27FN3O3+ MolecularWeight: 388.455783

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CCN=CC2C(=O)CC(CC2=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CCN=CC2C(=O)CC(CC2=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H26FN3O3/c1-15(26)25-10-8-24(9-11-25)7-6-23-14-19-20(27)12-17(13-21(19)28)16-2-4-18(22)5-3-16/h2-5,14,17,19H,6-13H2,1H3/p+1