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

Systemtic Name: 5-(3,4-dichlorophenyl)-2-(2-piperazine-1,4-diium-1-ylethyliminomethyl)cyclohexane-1,3-dione Openeye Name: 5-(3,4-dichlorophenyl)-2-(2-piperazine-1,4-diium-1-ylethyliminomethyl)cyclohexane-1,3-dione CAS Name: 5-(3,4-dichlorophenyl)-2-[2-(1-piperazine-1,4-diiumyl)ethyliminomethyl]cyclohexane-1,3-dione IUPAC Name: 5-(3,4-dichlorophenyl)-2-(2-piperazine-1,4-diium-1-ylethyliminomethyl)cyclohexane-1,3-dione Traditional Name: 5-(3,4-dichlorophenyl)-2-(2-piperazine-1,4-diium-1-ylethyliminomethyl)cyclohexane-1,3-quinone Formula: C19H25Cl2N3O2+2 MolecularWeight: 398.3267

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH2+]1)CCN=CC2C(=O)CC(CC2=O)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1C[NH+](CC[NH2+]1)CCN=CC2C(=O)CC(CC2=O)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C19H23Cl2N3O2/c20-16-2-1-13(9-17(16)21)14-10-18(25)15(19(26)11-14)12-23-5-8-24-6-3-22-4-7-24/h1-2,9,12,14-15,22H,3-8,10-11H2/p+2