4-oxidanylidene-3-(phenylmethyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-3-(phenylmethyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-4-oxo-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)phthalazine-1-carboxamide CAS Name: 4-oxo-3-(phenylmethyl)-N-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-4-oxo-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)phthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)phthalazine-1-carboxamide Formula: C25H31N4O2+ MolecularWeight: 419.53924

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)C

InChI

InChI=1S/C25H30N4O2/c1-24(2)14-18(15-25(3,4)28-24)26-22(30)21-19-12-8-9-13-20(19)23(31)29(27-21)16-17-10-6-5-7-11-17/h5-13,18,28H,14-16H2,1-4H3,(H,26,30)/p+1