2-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-4,9-bis(oxidanylidene)benzo[f][1]benzofuran-3-carboxamide

Systemtic Name: 2-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-4,9-bis(oxidanylidene)benzo[f][1]benzofuran-3-carboxamide Openeye Name: 2-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-4,9-dioxo-benzo[f]benzofuran-3-carboxamide CAS Name: 2-methyl-N-[3-(4-morpholin-4-iumyl)propyl]-4,9-dioxo-3-benzo[f]benzofurancarboxamide IUPAC Name: 2-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide Traditional Name: 4,9-diketo-2-methyl-N-(3-morpholin-4-ium-4-ylpropyl)benzo[f]benzofuran-3-carboxamide Formula: C21H23N2O5+ MolecularWeight: 383.41772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C(=O)C3=CC=CC=C3C2=O)C(=O)NCCC[NH+]4CCOCC4

Isomeric SMILES

CC1=C(C2=C(O1)C(=O)C3=CC=CC=C3C2=O)C(=O)NCCC[NH+]4CCOCC4

InChI

InChI=1S/C21H22N2O5/c1-13-16(21(26)22-7-4-8-23-9-11-27-12-10-23)17-18(24)14-5-2-3-6-15(14)19(25)20(17)28-13/h2-3,5-6H,4,7-12H2,1H3,(H,22,26)/p+1