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

Systemtic Name: 5-(4-tert-butylphenyl)-2-[2-(4-ethanoylpiperazin-1-ium-1-yl)ethyliminomethyl]cyclohexane-1,3-dione Openeye Name: 2-[2-(4-acetylpiperazin-1-ium-1-yl)ethyliminomethyl]-5-(4-tert-butylphenyl)cyclohexane-1,3-dione CAS Name: 2-[2-(4-acetyl-1-piperazin-1-iumyl)ethyliminomethyl]-5-(4-tert-butylphenyl)cyclohexane-1,3-dione IUPAC Name: 2-[2-(4-acetylpiperazin-1-ium-1-yl)ethyliminomethyl]-5-(4-tert-butylphenyl)cyclohexane-1,3-dione Traditional Name: 2-[2-(4-acetylpiperazin-1-ium-1-yl)ethyliminomethyl]-5-(4-tert-butylphenyl)cyclohexane-1,3-quinone Formula: C25H36N3O3+ MolecularWeight: 426.57164

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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)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H35N3O3/c1-18(29)28-13-11-27(12-14-28)10-9-26-17-22-23(30)15-20(16-24(22)31)19-5-7-21(8-6-19)25(2,3)4/h5-8,17,20,22H,9-16H2,1-4H3/p+1