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

Systemtic Name: 2-[2-(4-ethanoylpiperazin-1-ium-1-yl)ethyliminomethyl]-5-(4-methylphenyl)cyclohexane-1,3-dione Openeye Name: 2-[2-(4-acetylpiperazin-1-ium-1-yl)ethyliminomethyl]-5-(p-tolyl)cyclohexane-1,3-dione CAS Name: 2-[2-(4-acetyl-1-piperazin-1-iumyl)ethyliminomethyl]-5-(4-methylphenyl)cyclohexane-1,3-dione IUPAC Name: 2-[2-(4-acetylpiperazin-1-ium-1-yl)ethyliminomethyl]-5-(4-methylphenyl)cyclohexane-1,3-dione Traditional Name: 2-[2-(4-acetylpiperazin-1-ium-1-yl)ethyliminomethyl]-5-(p-tolyl)cyclohexane-1,3-quinone Formula: C22H30N3O3+ MolecularWeight: 384.4919

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3/c1-16-3-5-18(6-4-16)19-13-21(27)20(22(28)14-19)15-23-7-8-24-9-11-25(12-10-24)17(2)26/h3-6,15,19-20H,7-14H2,1-2H3/p+1