tert-butyl N-[(4R,5R,6R)-2,2,4-trimethyl-6-(3-methyl-1,3-thiazol-3-ium-2-yl)-1,3-dioxan-5-yl]carbamate; tris(fluoranyl)methanesulfonate

Systemtic Name: tert-butyl N-[(4R,5R,6R)-2,2,4-trimethyl-6-(3-methyl-1,3-thiazol-3-ium-2-yl)-1,3-dioxan-5-yl]carbamate; tris(fluoranyl)methanesulfonate Openeye Name: tert-butyl N-[(4R,5R,6R)-2,2,4-trimethyl-6-(3-methylthiazol-3-ium-2-yl)-1,3-dioxan-5-yl]carbamate; trifluoromethanesulfonate CAS Name: trifluoromethanesulfonate; N-[(4R,5R,6R)-2,2,4-trimethyl-6-(3-methyl-2-thiazol-3-iumyl)-1,3-dioxan-5-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(4R,5R,6R)-2,2,4-trimethyl-6-(3-methyl-1,3-thiazol-3-ium-2-yl)-1,3-dioxan-5-yl]carbamate; trifluoromethanesulfonate Traditional Name: N-[(4R,5R,6R)-2,2,4-trimethyl-6-(3-methylthiazol-3-ium-2-yl)-1,3-dioxan-5-yl]carbamic acid tert-butyl ester triflate Formula: C17H27F3N2O7S2 MolecularWeight: 492.53069

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(OC(O1)(C)C)C2=[N+](C=CS2)C)NC(=O)OC(C)(C)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[C@@H]1[C@H]([C@@H](OC(O1)(C)C)C2=[N+](C=CS2)C)NC(=O)OC(C)(C)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C16H26N2O4S.CHF3O3S/c1-10-11(17-14(19)22-15(2,3)4)12(21-16(5,6)20-10)13-18(7)8-9-23-13;2-1(3,4)8(5,6)7/h8-12H,1-7H3;(H,5,6,7)/t10-,11-,12-;/m1./s1