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

Systemtic Name: 2-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]-N-(4-methylpiperazin-4-ium-1-yl)ethanamide Openeye Name: 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-(4-methylpiperazin-4-ium-1-yl)acetamide CAS Name: 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-(4-methyl-1-piperazin-4-iumyl)acetamide IUPAC Name: 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-(4-methylpiperazin-4-ium-1-yl)acetamide Traditional Name: 2-(1,3-diketo-4H-isoquinolin-2-yl)-N-(4-methylpiperazin-4-ium-1-yl)acetamide Formula: C16H21N4O3+ MolecularWeight: 317.36294

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)CN2C(=O)CC3=CC=CC=C3C2=O

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)CN2C(=O)CC3=CC=CC=C3C2=O

InChI

InChI=1S/C16H20N4O3/c1-18-6-8-19(9-7-18)17-14(21)11-20-15(22)10-12-4-2-3-5-13(12)16(20)23/h2-5H,6-11H2,1H3,(H,17,21)/p+1