1-Propanaminium, 3-carboxy-2-[[(9Z,12Z)-3-hydroxy-1-oxo-9,12-octadecadien-1-yl]oxy]-N,N,N-trimethyl-, inner salt

CAS Registry Number®

251981-04-1
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CAS Name

1-Propanaminium, 3-carboxy-2-[[(9Z,12Z)-3-hydroxy-1-oxo-9,12-octadecadien-1-yl]oxy]-N,N,N-trimethyl-, inner salt

Molecular Formula

C25H45NO5

Cite this Page

1-Propanaminium, 3-carboxy-2-[[(9Z,12Z)-3-hydroxy-1-oxo-9,12-octadecadien-1-yl]oxy]-N,N,N-trimethyl-, inner salt.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=251981-04-1 (retrieved 2024-09-19) (CAS RN: 251981-04-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C25H45NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(27)19-25(30)31-23(20-24(28)29)21-26(2,3)4/h9-10,12-13,22-23,27H,5-8,11,14-21H2,1-4H3/b10-9-,13-12-

InChIKey

InChIKey=WQYXCASYXUFNSI-UTJQPWESNA-N

SMILES

C(OC(CC(CCCCC/C=C\C/C=C\CCCCC)O)=O)(C[N+](C)(C)C)CC([O-])=O

Canonical SMILES

O=C([O-])CC(OC(=O)CC(O)CCCCCC=CCC=CCCCCC)C[N+](C)(C)C

Other Names for this Substance

  • 1-Propanaminium, 3-carboxy-2-[[(9Z,12Z)-3-hydroxy-1-oxo-9,12-octadecadien-1-yl]oxy]-N,N,N-trimethyl-, inner salt
  • 1-Propanaminium, 3-carboxy-2-[[(9Z,12Z)-3-hydroxy-1-oxo-9,12-octadecadienyl]oxy]-N,N,N-trimethyl-, inner salt