5-phenyl-2-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)iminomethyl]cyclohexane-1,3-dione

Systemtic Name: 5-phenyl-2-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)iminomethyl]cyclohexane-1,3-dione Openeye Name: 5-phenyl-2-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)iminomethyl]cyclohexane-1,3-dione CAS Name: 5-phenyl-2-[(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)iminomethyl]cyclohexane-1,3-dione IUPAC Name: 5-phenyl-2-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)iminomethyl]cyclohexane-1,3-dione Traditional Name: 5-phenyl-2-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)iminomethyl]cyclohexane-1,3-quinone Formula: C22H31N2O2+ MolecularWeight: 355.49374

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)N=CC2C(=O)CC(CC2=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)N=CC2C(=O)CC(CC2=O)C3=CC=CC=C3)C

InChI

InChI=1S/C22H30N2O2/c1-21(2)12-17(13-22(3,4)24-21)23-14-18-19(25)10-16(11-20(18)26)15-8-6-5-7-9-15/h5-9,14,16-18,24H,10-13H2,1-4H3/p+1