1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-[[(5E)-1-oxo-5-tetradecen-1-yl]oxy]-, inner salt, (2R)-

CAS Registry Number®

835598-21-5

CAS Name

1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-[[(5E)-1-oxo-5-tetradecen-1-yl]oxy]-, inner salt, (2R)-

Molecular Formula

C21H39NO4

Cite this Page

1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-[[(5E)-1-oxo-5-tetradecen-1-yl]oxy]-, inner salt, (2R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=835598-21-5 (retrieved 2024-11-25) (CAS RN: 835598-21-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H39NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-21(25)26-19(17-20(23)24)18-22(2,3)4/h12-13,19H,5-11,14-18H2,1-4H3/b13-12+/t19-/m1/s1

InChIKey

InChIKey=NNCBVXBBLABOCB-JXOMPUQVSA-N

SMILES

[C@H](OC(CCC/C=C/CCCCCCCC)=O)(C[N+](C)(C)C)CC([O-])=O

Canonical SMILES

O=C([O-])CC(OC(=O)CCCC=CCCCCCCCC)C[N+](C)(C)C

Other Names for this Substance

  • 1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-[[(5E)-1-oxo-5-tetradecen-1-yl]oxy]-, inner salt, (2R)-
  • 1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-[[(5E)-1-oxo-5-tetradecenyl]oxy]-, inner salt, (2R)-
  • 5-trans-Tetradecenoylcarnitine

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