3-(4-ethylpiperazin-4-ium-1-yl)carbonyl-2-methyl-benzo[f][1]benzofuran-4,9-dione

Systemtic Name: 3-(4-ethylpiperazin-4-ium-1-yl)carbonyl-2-methyl-benzo[f][1]benzofuran-4,9-dione Openeye Name: 3-(4-ethylpiperazin-4-ium-1-carbonyl)-2-methyl-benzo[f]benzofuran-4,9-dione CAS Name: 3-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]-2-methylbenzo[f]benzofuran-4,9-dione IUPAC Name: 3-(4-ethylpiperazin-4-ium-1-carbonyl)-2-methylbenzo[f][1]benzofuran-4,9-dione Traditional Name: 3-(4-ethylpiperazin-4-ium-1-carbonyl)-2-methyl-benzo[f]benzofuran-4,9-quinone Formula: C20H21N2O4+ MolecularWeight: 353.39174

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=C(OC3=C2C(=O)C4=CC=CC=C4C3=O)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=C(OC3=C2C(=O)C4=CC=CC=C4C3=O)C

InChI

InChI=1S/C20H20N2O4/c1-3-21-8-10-22(11-9-21)20(25)15-12(2)26-19-16(15)17(23)13-6-4-5-7-14(13)18(19)24/h4-7H,3,8-11H2,1-2H3/p+1