5,5-dimethyl-2-[1-(2-piperazine-1,4-diium-1-ylethylamino)propylidene]cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-[1-(2-piperazine-1,4-diium-1-ylethylamino)propylidene]cyclohexane-1,3-dione Openeye Name: 5,5-dimethyl-2-[1-(2-piperazine-1,4-diium-1-ylethylamino)propylidene]cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-[1-[2-(1-piperazine-1,4-diiumyl)ethylamino]propylidene]cyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2-[1-(2-piperazine-1,4-diium-1-ylethylamino)propylidene]cyclohexane-1,3-dione Traditional Name: 5,5-dimethyl-2-[1-(2-piperazine-1,4-diium-1-ylethylamino)propylidene]cyclohexane-1,3-quinone Formula: C17H31N3O2+2 MolecularWeight: 309.44694

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=O)CC(CC1=O)(C)C)NCC[NH+]2CC[NH2+]CC2

Isomeric SMILES

CCC(=C1C(=O)CC(CC1=O)(C)C)NCC[NH+]2CC[NH2+]CC2

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/h18-19H,4-12H2,1-3H3/p+2