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
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CAS Name
1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-[[(5E)-1-oxo-5-tetradecen-1-yl]oxy]-, inner salt, (2R)-Molecular Formula
C21H39NO4Cite 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 ) (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
