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

Systemtic Name: 3-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]propanamide Openeye Name: 3-(5-methyl-1,3-dioxo-isoindolin-2-yl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]propanamide CAS Name: 3-(5-methyl-1,3-dioxo-2-isoindolyl)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]propanamide IUPAC Name: 3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]propanamide Traditional Name: 3-(1,3-diketo-5-methyl-isoindolin-2-yl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]propionamide Formula: C22H25N4O4+ MolecularWeight: 409.4583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCC(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCC(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4

InChI

InChI=1S/C22H24N4O4/c1-15-2-4-17-18(12-15)22(29)26(21(17)28)7-6-20(27)24-14-16-3-5-19(23-13-16)25-8-10-30-11-9-25/h2-5,12-13H,6-11,14H2,1H3,(H,24,27)/p+1