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

Systemtic Name: 5-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)cyclohexane-1,3-dione CAS Name: 2-[2-(4-acetyl-1-piperazin-1-iumyl)ethyliminomethyl]-5-(3,4-dimethoxyphenyl)cyclohexane-1,3-dione IUPAC Name: 2-[2-(4-acetylpiperazin-1-ium-1-yl)ethyliminomethyl]-5-(3,4-dimethoxyphenyl)cyclohexane-1,3-dione Traditional Name: 2-[2-(4-acetylpiperazin-1-ium-1-yl)ethyliminomethyl]-5-(3,4-dimethoxyphenyl)cyclohexane-1,3-quinone Formula: C23H32N3O5+ MolecularWeight: 430.51728

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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)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O5/c1-16(27)26-10-8-25(9-11-26)7-6-24-15-19-20(28)12-18(13-21(19)29)17-4-5-22(30-2)23(14-17)31-3/h4-5,14-15,18-19H,6-13H2,1-3H3/p+1