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tetradecyl 1-octadecylpyridin-1-ium-3-carboxylate

tetradecyl 1-octadecylpyridin-1-ium-3-carboxylate

Systemtic Name:tetradecyl 1-octadecylpyridin-1-ium-3-carboxylate
Openeye Name:tetradecyl 1-octadecylpyridin-1-ium-3-carboxylate
CAS Name:1-octadecyl-3-pyridin-1-iumcarboxylic acid tetradecyl ester
IUPAC Name:tetradecyl 1-octadecylpyridin-1-ium-3-carboxylate
Traditional Name:1-stearylpyridin-1-ium-3-carboxylic acid myristyl ester
Formula: C38H70NO2+
MolecularWeight: 572.9679
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1=CC=CC(=C1)C(=O)OCCCCCCCCCCCCCC


Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1=CC=CC(=C1)C(=O)OCCCCCCCCCCCCCC


InChI

InChI=1S/C38H70NO2/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-33-39-34-31-32-37(36-39)38(40)41-35-30-28-26-24-22-16-14-12-10-8-6-4-2/h31-32,34,36H,3-30,33,35H2,1-2H3/q+1


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