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

Systemtic Name: nonacosan-15-yl 1-methylpyridin-1-ium-4-carboxylate chloride Openeye Name: 1-tetradecylpentadecyl 1-methylpyridin-1-ium-4-carboxylate chloride CAS Name: 1-methyl-4-pyridin-1-iumcarboxylic acid nonacosan-15-yl ester chloride IUPAC Name: nonacosan-15-yl 1-methylpyridin-1-ium-4-carboxylate chloride Traditional Name: 1-methylpyridin-1-ium-4-carboxylic acid 1-myristylpentadecyl ester chloride Formula: C36H66ClNO2 MolecularWeight: 580.36774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H66NO2.ClH/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;1H/q+1;/p-1