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

Systemtic Name: 3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]carbonyl-2-methyl-benzo[f][1]benzofuran-4,9-dione Openeye Name: 3-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]-2-methyl-benzo[f]benzofuran-4,9-dione CAS Name: 3-[[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-oxomethyl]-2-methylbenzo[f]benzofuran-4,9-dione IUPAC Name: 3-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]-2-methylbenzo[f][1]benzofuran-4,9-dione Traditional Name: 3-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]-2-methyl-benzo[f]benzofuran-4,9-quinone Formula: C20H21N2O5+ MolecularWeight: 369.39114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C(=O)C3=CC=CC=C3C2=O)C(=O)N4CC[NH+](CC4)CCO

Isomeric SMILES

CC1=C(C2=C(O1)C(=O)C3=CC=CC=C3C2=O)C(=O)N4CC[NH+](CC4)CCO

InChI

InChI=1S/C20H20N2O5/c1-12-15(20(26)22-8-6-21(7-9-22)10-11-23)16-17(24)13-4-2-3-5-14(13)18(25)19(16)27-12/h2-5,23H,6-11H2,1H3/p+1