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

Systemtic Name: 4-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]butanamide Openeye Name: 4-(5-methyl-1,3-dioxo-isoindolin-2-yl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]butanamide CAS Name: 4-(5-methyl-1,3-dioxo-2-isoindolyl)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]butanamide IUPAC Name: 4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]butanamide Traditional Name: 4-(1,3-diketo-5-methyl-isoindolin-2-yl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]butyramide Formula: C23H27N4O4+ MolecularWeight: 423.48488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O4/c1-16-4-6-18-19(13-16)23(30)27(22(18)29)8-2-3-21(28)25-15-17-5-7-20(24-14-17)26-9-11-31-12-10-26/h4-7,13-14H,2-3,8-12,15H2,1H3,(H,25,28)/p+1