5,5-dimethyl-2-[2-(4-phenethylpiperazine-1,4-diium-1-yl)ethyliminomethyl]cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-[2-(4-phenethylpiperazine-1,4-diium-1-yl)ethyliminomethyl]cyclohexane-1,3-dione Openeye Name: 5,5-dimethyl-2-[2-(4-phenethylpiperazine-1,4-diium-1-yl)ethyliminomethyl]cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-[2-(4-phenethyl-1-piperazine-1,4-diiumyl)ethyliminomethyl]cyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2-[2-(4-phenethylpiperazine-1,4-diium-1-yl)ethyliminomethyl]cyclohexane-1,3-dione Traditional Name: 5,5-dimethyl-2-[2-(4-phenethylpiperazine-1,4-diium-1-yl)ethyliminomethyl]cyclohexane-1,3-quinone Formula: C23H35N3O2+2 MolecularWeight: 385.5429

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(=O)C1)C=NCC[NH+]2CC[NH+](CC2)CCC3=CC=CC=C3)C

Isomeric SMILES

CC1(CC(=O)C(C(=O)C1)C=NCC[NH+]2CC[NH+](CC2)CCC3=CC=CC=C3)C

InChI

InChI=1S/C23H33N3O2/c1-23(2)16-21(27)20(22(28)17-23)18-24-9-11-26-14-12-25(13-15-26)10-8-19-6-4-3-5-7-19/h3-7,18,20H,8-17H2,1-2H3/p+2