2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)-N-(2-morpholin-4-ylpyridin-1-ium-3-yl)ethanamide

Systemtic Name: 2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)-N-(2-morpholin-4-ylpyridin-1-ium-3-yl)ethanamide Openeye Name: 2-(3-methyl-4-oxo-phthalazin-1-yl)-N-(2-morpholinopyridin-1-ium-3-yl)acetamide CAS Name: 2-(3-methyl-4-oxo-1-phthalazinyl)-N-[2-(4-morpholinyl)-3-pyridin-1-iumyl]acetamide IUPAC Name: 2-(3-methyl-4-oxophthalazin-1-yl)-N-(2-morpholin-4-ylpyridin-1-ium-3-yl)acetamide Traditional Name: 2-(4-keto-3-methyl-phthalazin-1-yl)-N-(2-morpholinopyridin-1-ium-3-yl)acetamide Formula: C20H22N5O3+ MolecularWeight: 380.42038

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)NC3=C([NH+]=CC=C3)N4CCOCC4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)NC3=C([NH+]=CC=C3)N4CCOCC4

InChI

InChI=1S/C20H21N5O3/c1-24-20(27)15-6-3-2-5-14(15)17(23-24)13-18(26)22-16-7-4-8-21-19(16)25-9-11-28-12-10-25/h2-8H,9-13H2,1H3,(H,22,26)/p+1