2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-N-(1-propylpiperidin-1-ium-4-yl)ethanamide

Systemtic Name: 2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-N-(1-propylpiperidin-1-ium-4-yl)ethanamide Openeye Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(1-propylpiperidin-1-ium-4-yl)acetamide CAS Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(1-propyl-4-piperidin-1-iumyl)acetamide IUPAC Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(1-propylpiperidin-1-ium-4-yl)acetamide Traditional Name: 2-(1,4-diketo-3H-phthalazin-2-yl)-N-(1-propylpiperidin-1-ium-4-yl)acetamide Formula: C18H25N4O3+ MolecularWeight: 345.4161

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O3/c1-2-9-21-10-7-13(8-11-21)19-16(23)12-22-18(25)15-6-4-3-5-14(15)17(24)20-22/h3-6,13H,2,7-12H2,1H3,(H,19,23)(H,20,24)/p+1