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hexadecyl 1-octadecylpyridin-1-ium-3-carboxylate chloride

hexadecyl 1-octadecylpyridin-1-ium-3-carboxylate chloride

Systemtic Name:hexadecyl 1-octadecylpyridin-1-ium-3-carboxylate chloride
Openeye Name:hexadecyl 1-octadecylpyridin-1-ium-3-carboxylate chloride
CAS Name:1-octadecyl-3-pyridin-1-iumcarboxylic acid hexadecyl ester chloride
IUPAC Name:hexadecyl 1-octadecylpyridin-1-ium-3-carboxylate chloride
Traditional Name:1-stearylpyridin-1-ium-3-carboxylic acid cetyl ester chloride
Formula: C40H74ClNO2
MolecularWeight: 636.47406
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1=CC=CC(=C1)C(=O)OCCCCCCCCCCCCCCCC.[Cl-]


Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1=CC=CC(=C1)C(=O)OCCCCCCCCCCCCCCCC.[Cl-]


InChI

InChI=1S/C40H74NO2.ClH/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-35-41-36-33-34-39(38-41)40(42)43-37-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2;/h33-34,36,38H,3-32,35,37H2,1-2H3;1H/q+1;/p-1


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