(2,2,6,6-tetramethyl-1-oxidanidyl-piperidin-1-ium-4-yl) 4-methylbenzenesulfonate

Systemtic Name: (2,2,6,6-tetramethyl-1-oxidanidyl-piperidin-1-ium-4-yl) 4-methylbenzenesulfonate Openeye Name: (2,2,6,6-tetramethyl-1-oxido-piperidin-1-ium-4-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2,2,6,6-tetramethyl-1-oxido-4-piperidin-1-iumyl) ester IUPAC Name: (2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium-4-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2,2,6,6-tetramethyl-1-oxido-piperidin-1-ium-4-yl) ester Formula: C16H25NO4S MolecularWeight: 327.439

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CC([NH+](C(C2)(C)C)[O-])(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CC([NH+](C(C2)(C)C)[O-])(C)C

InChI

InChI=1S/C16H25NO4S/c1-12-6-8-14(9-7-12)22(19,20)21-13-10-15(2,3)17(18)16(4,5)11-13/h6-9,13,17H,10-11H2,1-5H3