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

Systemtic Name: 5,5-dimethyl-2-[1-(2-piperazine-1,4-diium-1-ylethylamino)ethenyl]cyclohexane-1,3-dione Openeye Name: 5,5-dimethyl-2-[1-(2-piperazine-1,4-diium-1-ylethylamino)vinyl]cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-[1-[2-(1-piperazine-1,4-diiumyl)ethylamino]ethenyl]cyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2-[1-(2-piperazine-1,4-diium-1-ylethylamino)ethenyl]cyclohexane-1,3-dione Traditional Name: 5,5-dimethyl-2-[1-(2-piperazine-1,4-diium-1-ylethylamino)vinyl]cyclohexane-1,3-quinone Formula: C16H29N3O2+2 MolecularWeight: 295.42036

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(=O)C1)C(=C)NCC[NH+]2CC[NH2+]CC2)C

Isomeric SMILES

CC1(CC(=O)C(C(=O)C1)C(=C)NCC[NH+]2CC[NH2+]CC2)C

InChI

InChI=1S/C16H27N3O2/c1-12(18-6-9-19-7-4-17-5-8-19)15-13(20)10-16(2,3)11-14(15)21/h15,17-18H,1,4-11H2,2-3H3/p+2