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

Systemtic Name: 5-(4-methylphenyl)-2-(2-piperazine-1,4-diium-1-ylethyliminomethyl)cyclohexane-1,3-dione Openeye Name: 2-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-5-(p-tolyl)cyclohexane-1,3-dione CAS Name: 5-(4-methylphenyl)-2-[2-(1-piperazine-1,4-diiumyl)ethyliminomethyl]cyclohexane-1,3-dione IUPAC Name: 5-(4-methylphenyl)-2-(2-piperazine-1,4-diium-1-ylethyliminomethyl)cyclohexane-1,3-dione Traditional Name: 2-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-5-(p-tolyl)cyclohexane-1,3-quinone Formula: C20H29N3O2+2 MolecularWeight: 343.46316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=O)C(C(=O)C2)C=NCC[NH+]3CC[NH2+]CC3

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=O)C(C(=O)C2)C=NCC[NH+]3CC[NH2+]CC3

InChI

InChI=1S/C20H27N3O2/c1-15-2-4-16(5-3-15)17-12-19(24)18(20(25)13-17)14-22-8-11-23-9-6-21-7-10-23/h2-5,14,17-18,21H,6-13H2,1H3/p+2