5-(4-methylphenyl)-2-[2-(4-propanoylpiperazin-1-ium-1-yl)ethyliminomethyl]cyclohexane-1,3-dione

Systemtic Name: 5-(4-methylphenyl)-2-[2-(4-propanoylpiperazin-1-ium-1-yl)ethyliminomethyl]cyclohexane-1,3-dione Openeye Name: 2-[2-(4-propanoylpiperazin-1-ium-1-yl)ethyliminomethyl]-5-(p-tolyl)cyclohexane-1,3-dione CAS Name: 5-(4-methylphenyl)-2-[2-[4-(1-oxopropyl)-1-piperazin-1-iumyl]ethyliminomethyl]cyclohexane-1,3-dione IUPAC Name: 5-(4-methylphenyl)-2-[2-(4-propanoylpiperazin-1-ium-1-yl)ethyliminomethyl]cyclohexane-1,3-dione Traditional Name: 2-[2-(4-propionylpiperazin-1-ium-1-yl)ethyliminomethyl]-5-(p-tolyl)cyclohexane-1,3-quinone Formula: C23H32N3O3+ MolecularWeight: 398.51848

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CC[NH+](CC1)CCN=CC2C(=O)CC(CC2=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC(=O)N1CC[NH+](CC1)CCN=CC2C(=O)CC(CC2=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H31N3O3/c1-3-23(29)26-12-10-25(11-13-26)9-8-24-16-20-21(27)14-19(15-22(20)28)18-6-4-17(2)5-7-18/h4-7,16,19-20H,3,8-15H2,1-2H3/p+1