Piperidinium, 1,1-dimethyl-4-[(3-methyl-1-oxo-2-phenylpentyl)oxy]-, methyl sulfate (1:1)

CAS Registry Number®

7681-80-3

CAS Name

Piperidinium, 1,1-dimethyl-4-[(3-methyl-1-oxo-2-phenylpentyl)oxy]-, methyl sulfate (1:1)

Molecular Formula

C19H30NO2.CH3O4S

Cite this Page

Piperidinium, 1,1-dimethyl-4-[(3-methyl-1-oxo-2-phenylpentyl)oxy]-, methyl sulfate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=7681-80-3 (retrieved 2024-11-25) (CAS RN: 7681-80-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    110-112 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C19H30NO2.CH4O4S/c1-5-15(2)18(16-9-7-6-8-10-16)19(21)22-17-11-13-20(3,4)14-12-17;1-5-6(2,3)4/h6-10,15,17-18H,5,11-14H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1

InChIKey

InChIKey=YGURFDXYQNOJCS-UHFFFAOYSA-M

SMILES

C(C(OC1CC[N+](C)(C)CC1)=O)(C(CC)C)C2=CC=CC=C2.S(OC)(=O)(=O)[O-]

Canonical SMILES

O=C(OC1CC[N+](C)(C)CC1)C(C=2C=CC=CC2)C(C)CC.O=S(=O)([O-])OC

Other Names for this Substance

  • Piperidinium, 1,1-dimethyl-4-[(3-methyl-1-oxo-2-phenylpentyl)oxy]-, methyl sulfate (1:1)
  • Piperidinium, 4-hydroxy-1,1-dimethyl-, methyl sulfate (salt), 3-methyl-2-phenylvalerate
  • Piperidinium, 1,1-dimethyl-4-[(3-methyl-1-oxo-2-phenylpentyl)oxy]-, methyl sulfate
  • 4-Hydroxy-1,1-dimethylpiperidinium methyl sulfate 3-methyl-2-phenylvalerate
  • Pentapiperide methylsulfate

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Deleted or Replaced CAS Registry Numbers

8013-30-7, 24874-29-1

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