1-[2-methyl-1,3-bis(oxidanylidene)isoindol-5-yl]-3-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]urea

Systemtic Name: 1-[2-methyl-1,3-bis(oxidanylidene)isoindol-5-yl]-3-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]urea Openeye Name: 1-(2-methyl-1,3-dioxo-isoindolin-5-yl)-3-[(6-morpholinopyridin-1-ium-3-yl)methyl]urea CAS Name: 1-(2-methyl-1,3-dioxo-5-isoindolyl)-3-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]urea IUPAC Name: 1-(2-methyl-1,3-dioxoisoindol-5-yl)-3-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]urea Traditional Name: 1-(1,3-diketo-2-methyl-isoindolin-5-yl)-3-[(6-morpholinopyridin-1-ium-3-yl)methyl]urea Formula: C20H22N5O4+ MolecularWeight: 396.41978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O4/c1-24-18(26)15-4-3-14(10-16(15)19(24)27)23-20(28)22-12-13-2-5-17(21-11-13)25-6-8-29-9-7-25/h2-5,10-11H,6-9,12H2,1H3,(H2,22,23,28)/p+1