2-(4-oxidanylidene-3H-phthalazin-1-yl)-N-[(2R)-1-piperidin-1-ium-1-ylpropan-2-yl]ethanamide

Systemtic Name: 2-(4-oxidanylidene-3H-phthalazin-1-yl)-N-[(2R)-1-piperidin-1-ium-1-ylpropan-2-yl]ethanamide Openeye Name: N-[(1R)-1-methyl-2-piperidin-1-ium-1-yl-ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)-N-[(2R)-1-(1-piperidin-1-iumyl)propan-2-yl]acetamide IUPAC Name: 2-(4-oxo-3H-phthalazin-1-yl)-N-[(2R)-1-piperidin-1-ium-1-ylpropan-2-yl]acetamide Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)-N-[(1R)-1-methyl-2-piperidin-1-ium-1-yl-ethyl]acetamide Formula: C18H25N4O2+ MolecularWeight: 329.4167

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCCCC1)NC(=O)CC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

C[C@H](C[NH+]1CCCCC1)NC(=O)CC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C18H24N4O2/c1-13(12-22-9-5-2-6-10-22)19-17(23)11-16-14-7-3-4-8-15(14)18(24)21-20-16/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H,19,23)(H,21,24)/p+1/t13-/m1/s1