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

Systemtic Name: 5,5-dimethyl-2-[2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]ethyliminomethyl]cyclohexane-1,3-dione Openeye Name: 5,5-dimethyl-2-[2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]ethyliminomethyl]cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-[2-[4-(2-methyl-1-oxopropyl)-1-piperazin-1-iumyl]ethyliminomethyl]cyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2-[2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]ethyliminomethyl]cyclohexane-1,3-dione Traditional Name: 2-[2-(4-isobutyrylpiperazin-1-ium-1-yl)ethyliminomethyl]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C19H32N3O3+ MolecularWeight: 350.47568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31N3O3/c1-14(2)18(25)22-9-7-21(8-10-22)6-5-20-13-15-16(23)11-19(3,4)12-17(15)24/h13-15H,5-12H2,1-4H3/p+1