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dodecyl 1-dodecylpyridin-1-ium-3-carboxylate bromide

dodecyl 1-dodecylpyridin-1-ium-3-carboxylate bromide

Systemtic Name:dodecyl 1-dodecylpyridin-1-ium-3-carboxylate bromide
Openeye Name:dodecyl 1-dodecylpyridin-1-ium-3-carboxylate bromide
CAS Name:1-dodecyl-3-pyridin-1-iumcarboxylic acid dodecyl ester bromide
IUPAC Name:dodecyl 1-dodecylpyridin-1-ium-3-carboxylate bromide
Traditional Name:1-laurylpyridin-1-ium-3-carboxylic acid lauryl ester bromide
Formula: C30H54BrNO2
MolecularWeight: 540.65926
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1=CC=CC(=C1)C(=O)OCCCCCCCCCCCC.[Br-]


Isomeric SMILES

CCCCCCCCCCCC[N+]1=CC=CC(=C1)C(=O)OCCCCCCCCCCCC.[Br-]


InChI

InChI=1S/C30H54NO2.BrH/c1-3-5-7-9-11-13-15-17-19-21-25-31-26-23-24-29(28-31)30(32)33-27-22-20-18-16-14-12-10-8-6-4-2;/h23-24,26,28H,3-22,25,27H2,1-2H3;1H/q+1;/p-1


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