N-(1-methylpiperidin-1-ium-4-yl)-2-(1-oxidanylidenephthalazin-2-yl)ethanamide

Systemtic Name: N-(1-methylpiperidin-1-ium-4-yl)-2-(1-oxidanylidenephthalazin-2-yl)ethanamide Openeye Name: N-(1-methylpiperidin-1-ium-4-yl)-2-(1-oxophthalazin-2-yl)acetamide CAS Name: N-(1-methyl-4-piperidin-1-iumyl)-2-(1-oxo-2-phthalazinyl)acetamide IUPAC Name: N-(1-methylpiperidin-1-ium-4-yl)-2-(1-oxophthalazin-2-yl)acetamide Traditional Name: 2-(1-ketophthalazin-2-yl)-N-(1-methylpiperidin-1-ium-4-yl)acetamide Formula: C16H21N4O2+ MolecularWeight: 301.36354

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)NC(=O)CN2C(=O)C3=CC=CC=C3C=N2

Isomeric SMILES

C[NH+]1CCC(CC1)NC(=O)CN2C(=O)C3=CC=CC=C3C=N2

InChI

InChI=1S/C16H20N4O2/c1-19-8-6-13(7-9-19)18-15(21)11-20-16(22)14-5-3-2-4-12(14)10-17-20/h2-5,10,13H,6-9,11H2,1H3,(H,18,21)/p+1