2-[C-ethyl-N-(2-piperazine-1,4-diium-1-ylethyl)carbonimidoyl]-5,5-dimethyl-cyclohexane-1,3-dione

Systemtic Name: 2-[C-ethyl-N-(2-piperazine-1,4-diium-1-ylethyl)carbonimidoyl]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[C-ethyl-N-(2-piperazine-1,4-diium-1-ylethyl)carbonimidoyl]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-[1-[2-(1-piperazine-1,4-diiumyl)ethylimino]propyl]cyclohexane-1,3-dione IUPAC Name: 2-[C-ethyl-N-(2-piperazine-1,4-diium-1-ylethyl)carbonimidoyl]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[C-ethyl-N-(2-piperazine-1,4-diium-1-ylethyl)carbonimidoyl]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C17H31N3O2+2 MolecularWeight: 309.44694

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NCC[NH+]1CC[NH2+]CC1)C2C(=O)CC(CC2=O)(C)C

Isomeric SMILES

CCC(=NCC[NH+]1CC[NH2+]CC1)C2C(=O)CC(CC2=O)(C)C

InChI

InChI=1S/C17H29N3O2/c1-4-13(19-7-10-20-8-5-18-6-9-20)16-14(21)11-17(2,3)12-15(16)22/h16,18H,4-12H2,1-3H3/p+2