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nonacosan-15-yl 1-methylpyridin-1-ium-4-carboxylate

nonacosan-15-yl 1-methylpyridin-1-ium-4-carboxylate

Systemtic Name:nonacosan-15-yl 1-methylpyridin-1-ium-4-carboxylate
Openeye Name:1-tetradecylpentadecyl 1-methylpyridin-1-ium-4-carboxylate
CAS Name:1-methyl-4-pyridin-1-iumcarboxylic acid nonacosan-15-yl ester
IUPAC Name:nonacosan-15-yl 1-methylpyridin-1-ium-4-carboxylate
Traditional Name:1-methylpyridin-1-ium-4-carboxylic acid 1-myristylpentadecyl ester
Formula: C36H66NO2+
MolecularWeight: 544.91474
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)OC(=O)C1=CC=[N+](C=C1)C


Isomeric SMILES

CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)OC(=O)C1=CC=[N+](C=C1)C


InChI

InChI=1S/C36H66NO2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-35(39-36(38)34-30-32-37(3)33-31-34)29-27-25-23-21-19-17-15-13-11-9-7-5-2/h30-33,35H,4-29H2,1-3H3/q+1


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