2-methyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: 2-methyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: 2-methyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-1,3-dioxo-isoindoline-5-carboxamide CAS Name: 2-methyl-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: 2-methyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-1,3-dioxoisoindole-5-carboxamide Traditional Name: 1,3-diketo-2-methyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]isoindoline-5-carboxamide Formula: C20H21N4O4+ MolecularWeight: 381.40514

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4

Isomeric SMILES

CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4

InChI

InChI=1S/C20H20N4O4/c1-23-19(26)15-4-3-14(10-16(15)20(23)27)18(25)22-12-13-2-5-17(21-11-13)24-6-8-28-9-7-24/h2-5,10-11H,6-9,12H2,1H3,(H,22,25)/p+1