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tetradecyl 1-dodecylpyridin-1-ium-4-carboxylate

tetradecyl 1-dodecylpyridin-1-ium-4-carboxylate

Systemtic Name:tetradecyl 1-dodecylpyridin-1-ium-4-carboxylate
Openeye Name:tetradecyl 1-dodecylpyridin-1-ium-4-carboxylate
CAS Name:1-dodecyl-4-pyridin-1-iumcarboxylic acid tetradecyl ester
IUPAC Name:tetradecyl 1-dodecylpyridin-1-ium-4-carboxylate
Traditional Name:1-laurylpyridin-1-ium-4-carboxylic acid myristyl ester
Formula: C32H58NO2+
MolecularWeight: 488.80842
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC(=O)C1=CC=[N+](C=C1)CCCCCCCCCCCC


Isomeric SMILES

CCCCCCCCCCCCCCOC(=O)C1=CC=[N+](C=C1)CCCCCCCCCCCC


InChI

InChI=1S/C32H58NO2/c1-3-5-7-9-11-13-15-16-18-20-22-24-30-35-32(34)31-25-28-33(29-26-31)27-23-21-19-17-14-12-10-8-6-4-2/h25-26,28-29H,3-24,27,30H2,1-2H3/q+1


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