(2R,3S,6S)-1,1,3-trimethyl-2,6-diphenyl-piperidin-1-ium-4-one; tris(fluoranyl)methanesulfonate

Systemtic Name: (2R,3S,6S)-1,1,3-trimethyl-2,6-diphenyl-piperidin-1-ium-4-one; tris(fluoranyl)methanesulfonate Openeye Name: trifluoromethanesulfonate; (2R,3S,6S)-1,1,3-trimethyl-2,6-diphenyl-piperidin-1-ium-4-one CAS Name: trifluoromethanesulfonate; (2R,3S,6S)-1,1,3-trimethyl-2,6-diphenyl-4-piperidin-1-iumone IUPAC Name: trifluoromethanesulfonate; (2R,3S,6S)-1,1,3-trimethyl-2,6-diphenylpiperidin-1-ium-4-one Traditional Name: (2R,3S,6S)-1,1,3-trimethyl-2,6-diphenyl-piperidin-1-ium-4-one triflate Formula: C21H24F3NO4S MolecularWeight: 443.47977

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Descriptors Computed from Structure

Canonical SMILES:

CC1C([N+](C(CC1=O)C2=CC=CC=C2)(C)C)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[C@H]1[C@@H]([N+]([C@@H](CC1=O)C2=CC=CC=C2)(C)C)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C20H24NO.CHF3O3S/c1-15-19(22)14-18(16-10-6-4-7-11-16)21(2,3)20(15)17-12-8-5-9-13-17;2-1(3,4)8(5,6)7/h4-13,15,18,20H,14H2,1-3H3;(H,5,6,7)/q+1;/p-1/t15-,18+,20-;/m1./s1