Penthienate

CAS Registry Number®

22064-27-3
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CAS Name

Penthienate

Molecular Formula

C18H30NO3S

Cite this Page

Penthienate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=22064-27-3 (retrieved 2024-03-29) (CAS RN: 22064-27-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H30NO3S/c1-4-19(3,5-2)12-13-22-17(20)18(21,15-9-6-7-10-15)16-11-8-14-23-16/h8,11,14-15,21H,4-7,9-10,12-13H2,1-3H3/q+1

InChIKey

InChIKey=NEMLPWNINZELKP-UHFFFAOYSA-N

SMILES

C(C(OCC[N+](CC)(CC)C)=O)(O)(C1CCCC1)C2=CC=CS2

Canonical SMILES

O=C(OCC[N+](C)(CC)CC)C(O)(C=1SC=CC1)C2CCCC2

Other Names for this Substance

  • Ethanaminium, 2-[[2-cyclopentyl-2-hydroxy-2-(2-thienyl)acetyl]oxy]-N,N-diethyl-N-methyl-
  • Ammonium, diethyl(2-hydroxyethyl)methyl-, α-cyclopentyl-2-thiopheneglycolate (ester)
  • Ethanaminium, 2-[(cyclopentylhydroxy-2-thienylacetyl)oxy]-N,N-diethyl-N-methyl-
  • 2-[[2-Cyclopentyl-2-hydroxy-2-(2-thienyl)acetyl]oxy]-N,N-diethyl-N-methylethanaminium
  • Penthienate

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