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

Systemtic Name: 2-[2-(4-ethanoylpiperazin-1-ium-1-yl)ethyliminomethyl]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[2-(4-acetylpiperazin-1-ium-1-yl)ethyliminomethyl]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[2-(4-acetyl-1-piperazin-1-iumyl)ethyliminomethyl]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[2-(4-acetylpiperazin-1-ium-1-yl)ethyliminomethyl]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[2-(4-acetylpiperazin-1-ium-1-yl)ethyliminomethyl]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C17H28N3O3+ MolecularWeight: 322.42252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O3/c1-13(21)20-8-6-19(7-9-20)5-4-18-12-14-15(22)10-17(2,3)11-16(14)23/h12,14H,4-11H2,1-3H3/p+1