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

Systemtic Name: 3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]-N-(1-propylpiperidin-1-ium-4-yl)propanamide Openeye Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)-N-(1-propylpiperidin-1-ium-4-yl)propanamide CAS Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)-N-(1-propyl-4-piperidin-1-iumyl)propanamide IUPAC Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)-N-(1-propylpiperidin-1-ium-4-yl)propanamide Traditional Name: 3-(1,3-diketo-4H-isoquinolin-2-yl)-N-(1-propylpiperidin-1-ium-4-yl)propionamide Formula: C20H28N3O3+ MolecularWeight: 358.45462

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC(=O)CCN2C(=O)CC3=CC=CC=C3C2=O

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC(=O)CCN2C(=O)CC3=CC=CC=C3C2=O

InChI

InChI=1S/C20H27N3O3/c1-2-10-22-11-7-16(8-12-22)21-18(24)9-13-23-19(25)14-15-5-3-4-6-17(15)20(23)26/h3-6,16H,2,7-14H2,1H3,(H,21,24)/p+1