5-(4-tert-butylphenyl)-2-(2-piperazine-1,4-diium-1-ylethyliminomethyl)cyclohexane-1,3-dione

Systemtic Name: 5-(4-tert-butylphenyl)-2-(2-piperazine-1,4-diium-1-ylethyliminomethyl)cyclohexane-1,3-dione Openeye Name: 5-(4-tert-butylphenyl)-2-(2-piperazine-1,4-diium-1-ylethyliminomethyl)cyclohexane-1,3-dione CAS Name: 5-(4-tert-butylphenyl)-2-[2-(1-piperazine-1,4-diiumyl)ethyliminomethyl]cyclohexane-1,3-dione IUPAC Name: 5-(4-tert-butylphenyl)-2-(2-piperazine-1,4-diium-1-ylethyliminomethyl)cyclohexane-1,3-dione Traditional Name: 5-(4-tert-butylphenyl)-2-(2-piperazine-1,4-diium-1-ylethyliminomethyl)cyclohexane-1,3-quinone Formula: C23H35N3O2+2 MolecularWeight: 385.5429

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2CC(=O)C(C(=O)C2)C=NCC[NH+]3CC[NH2+]CC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2CC(=O)C(C(=O)C2)C=NCC[NH+]3CC[NH2+]CC3

InChI

InChI=1S/C23H33N3O2/c1-23(2,3)19-6-4-17(5-7-19)18-14-21(27)20(22(28)15-18)16-25-10-13-26-11-8-24-9-12-26/h4-7,16,18,20,24H,8-15H2,1-3H3/p+2