4-oxidanylidene-7-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)carbamoyl]-3H-phthalazin-1-olate

Systemtic Name: 4-oxidanylidene-7-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)carbamoyl]-3H-phthalazin-1-olate Openeye Name: 4-oxo-7-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)carbamoyl]-3H-phthalazin-1-olate CAS Name: 4-oxo-7-[oxo-[(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)amino]methyl]-3H-phthalazin-1-olate IUPAC Name: 4-oxo-7-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)carbamoyl]-3H-phthalazin-1-olate Traditional Name: 4-keto-7-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)carbamoyl]-3H-phthalazin-1-olate Formula: C18H24N4O3 MolecularWeight: 344.40816

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)NC(=O)C2=CC3=C(C=C2)C(=O)NN=C3[O-])C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)NC(=O)C2=CC3=C(C=C2)C(=O)NN=C3[O-])C

InChI

InChI=1S/C18H24N4O3/c1-17(2)8-11(9-18(3,4)22-17)19-14(23)10-5-6-12-13(7-10)16(25)21-20-15(12)24/h5-7,11,22H,8-9H2,1-4H3,(H,19,23)(H,20,24)(H,21,25)