3a-Hydroxy-1,1-dimethyl-5{[(methylamino)sulfonyl]methyl}-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-1-ium Trifluoroacetate-d6

Analyte Name

3a-Hydroxy-1,1-dimethyl-5([(methylamino)sulfonyl]methyl)-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-1-ium Trifluoroacetate-d6

Molecular Formula

C14 D6 H16 N3 O3 S . C2 F3 O2

Molecular Weight

431.46

Accurate Mass

431.161

SMILES

[2H]C([2H])([2H])[N+]1(CCC2(O)C1Nc3ccc(CS(=O)(=O)NC)cc23)C([2H])([2H])[2H].[O-]C(=O)C(F)(F)F

InChI

InChI=1S/C14H22N3O3S.C2HF3O2/c1-15-21(19,20)9-10-4-5-12-11(8-10)14(18)6-7-17(2,3)13(14)16-12;3-2(4,5)1(6)7/h4-5,8,13,15-16,18H,6-7,9H2,1-3H3;(H,6,7)/q+1;/p-1/i2D3,3D3;

IUPAC

1-[8b-hydroxy-3,3-bis(trideuteriomethyl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-3-ium-7-yl]-N-methylmethanesulfonamide;2,2,2-trifluoroacetate

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat