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

Systemtic Name: 2-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]-N-(1-propylpiperidin-1-ium-4-yl)ethanamide Openeye Name: 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-(1-propylpiperidin-1-ium-4-yl)acetamide CAS Name: 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-(1-propyl-4-piperidin-1-iumyl)acetamide IUPAC Name: 2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-(1-propylpiperidin-1-ium-4-yl)acetamide Traditional Name: 2-(1,3-diketo-4H-isoquinolin-2-yl)-N-(1-propylpiperidin-1-ium-4-yl)acetamide Formula: C19H26N3O3+ MolecularWeight: 344.42804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O3/c1-2-9-21-10-7-15(8-11-21)20-17(23)13-22-18(24)12-14-5-3-4-6-16(14)19(22)25/h3-6,15H,2,7-13H2,1H3,(H,20,23)/p+1