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

Systemtic Name: 3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]-N-(4-methylpiperazin-4-ium-1-yl)propanamide Openeye Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)-N-(4-methylpiperazin-4-ium-1-yl)propanamide CAS Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)-N-(4-methyl-1-piperazin-4-iumyl)propanamide IUPAC Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)-N-(4-methylpiperazin-4-ium-1-yl)propanamide Traditional Name: 3-(1,3-diketo-4H-isoquinolin-2-yl)-N-(4-methylpiperazin-4-ium-1-yl)propionamide Formula: C17H23N4O3+ MolecularWeight: 331.38952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O3/c1-19-8-10-20(11-9-19)18-15(22)6-7-21-16(23)12-13-4-2-3-5-14(13)17(21)24/h2-5H,6-12H2,1H3,(H,18,22)/p+1