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

Systemtic Name: 3-methyl-4-oxidanylidene-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)phthalazine-1-carboxamide Openeye Name: 3-methyl-4-oxo-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)phthalazine-1-carboxamide CAS Name: 3-methyl-4-oxo-N-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)-1-phthalazinecarboxamide IUPAC Name: 3-methyl-4-oxo-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)phthalazine-1-carboxamide Traditional Name: 4-keto-3-methyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)phthalazine-1-carboxamide Formula: C19H27N4O2+ MolecularWeight: 343.44328

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O2/c1-18(2)10-12(11-19(3,4)22-18)20-16(24)15-13-8-6-7-9-14(13)17(25)23(5)21-15/h6-9,12,22H,10-11H2,1-5H3,(H,20,24)/p+1