(2S,6R)-1,1-dimethyl-2,6-diphenyl-piperidin-1-ium-4-one; tris(fluoranyl)methanesulfonate

Systemtic Name: (2S,6R)-1,1-dimethyl-2,6-diphenyl-piperidin-1-ium-4-one; tris(fluoranyl)methanesulfonate Openeye Name: (2S,6R)-1,1-dimethyl-2,6-diphenyl-piperidin-1-ium-4-one; trifluoromethanesulfonate CAS Name: (2S,6R)-1,1-dimethyl-2,6-diphenyl-4-piperidin-1-iumone; trifluoromethanesulfonate IUPAC Name: (2S,6R)-1,1-dimethyl-2,6-diphenylpiperidin-1-ium-4-one; trifluoromethanesulfonate Traditional Name: (2S,6R)-1,1-dimethyl-2,6-diphenyl-piperidin-1-ium-4-one triflate Formula: C20H22F3NO4S MolecularWeight: 429.45319

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(CC(=O)CC1C2=CC=CC=C2)C3=CC=CC=C3)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1([C@H](CC(=O)C[C@H]1C2=CC=CC=C2)C3=CC=CC=C3)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C19H22NO.CHF3O3S/c1-20(2)18(15-9-5-3-6-10-15)13-17(21)14-19(20)16-11-7-4-8-12-16;2-1(3,4)8(5,6)7/h3-12,18-19H,13-14H2,1-2H3;(H,5,6,7)/q+1;/p-1/t18-,19+;