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

Systemtic Name: 5-(4-methylphenyl)-2-[2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]ethyliminomethyl]cyclohexane-1,3-dione Openeye Name: 2-[2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]ethyliminomethyl]-5-(p-tolyl)cyclohexane-1,3-dione CAS Name: 2-[2-[4-(2-methyl-1-oxopropyl)-1-piperazin-1-iumyl]ethyliminomethyl]-5-(4-methylphenyl)cyclohexane-1,3-dione IUPAC Name: 5-(4-methylphenyl)-2-[2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]ethyliminomethyl]cyclohexane-1,3-dione Traditional Name: 2-[2-(4-isobutyrylpiperazin-1-ium-1-yl)ethyliminomethyl]-5-(p-tolyl)cyclohexane-1,3-quinone Formula: C24H34N3O3+ MolecularWeight: 412.54506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N3O3/c1-17(2)24(30)27-12-10-26(11-13-27)9-8-25-16-21-22(28)14-20(15-23(21)29)19-6-4-18(3)5-7-19/h4-7,16-17,20-21H,8-15H2,1-3H3/p+1