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dodecyl 1-octadecylpyridin-1-ium-3-carboxylate

dodecyl 1-octadecylpyridin-1-ium-3-carboxylate

Systemtic Name:dodecyl 1-octadecylpyridin-1-ium-3-carboxylate
Openeye Name:dodecyl 1-octadecylpyridin-1-ium-3-carboxylate
CAS Name:1-octadecyl-3-pyridin-1-iumcarboxylic acid dodecyl ester
IUPAC Name:dodecyl 1-octadecylpyridin-1-ium-3-carboxylate
Traditional Name:1-stearylpyridin-1-ium-3-carboxylic acid lauryl ester
Formula: C36H66NO2+
MolecularWeight: 544.91474
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C36H66NO2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-31-37-32-29-30-35(34-37)36(38)39-33-28-26-24-22-14-12-10-8-6-4-2/h29-30,32,34H,3-28,31,33H2,1-2H3/q+1


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