Pyrrolidinium, 2-[[(2-hydroxy-2,2-diphenylacetyl)oxy]methyl]-1,1-dimethyl-, methyl sulfate (1:1)

CAS Registry Number®

545-80-2

CAS Name

Pyrrolidinium, 2-[[(2-hydroxy-2,2-diphenylacetyl)oxy]methyl]-1,1-dimethyl-, methyl sulfate (1:1)

Molecular Formula

C21H26NO3.CH3O4S

Cite this Page

Pyrrolidinium, 2-[[(2-hydroxy-2,2-diphenylacetyl)oxy]methyl]-1,1-dimethyl-, methyl sulfate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=545-80-2 (retrieved 2024-11-22) (CAS RN: 545-80-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    154.5 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C21H26NO3.CH4O4S/c1-22(2)15-9-14-19(22)16-25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18;1-5-6(2,3)4/h3-8,10-13,19,24H,9,14-16H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1

InChIKey

InChIKey=DQHAZEKGLAMVFA-UHFFFAOYSA-M

SMILES

S(OC)(=O)(=O)[O-].C(C(OCC1[N+](C)(C)CCC1)=O)(O)(C2=CC=CC=C2)C3=CC=CC=C3

Canonical SMILES

O=C(OCC1CCC[N+]1(C)C)C(O)(C=2C=CC=CC2)C=3C=CC=CC3.O=S(=O)([O-])OC

Other Names for this Substance

  • Pyrrolidinium, 2-[[(2-hydroxy-2,2-diphenylacetyl)oxy]methyl]-1,1-dimethyl-, methyl sulfate (1:1)
  • Pyrrolidinium, 2-(hydroxymethyl)-1,1-dimethyl-, methyl sulfate, benzilate
  • Pyrrolidinium, 2-[[(hydroxydiphenylacetyl)oxy]methyl]-1,1-dimethyl-, methyl sulfate (salt)
  • 2-(Hydroxymethyl)-1,1-dimethylpyrrolidinium methyl sulfate, benzilate
  • IS 499

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