2-(hexadecoxymethyl)pentyl 8-(4-methylpyridin-1-ium-1-yl)octanoate bromide

Systemtic Name: 2-(hexadecoxymethyl)pentyl 8-(4-methylpyridin-1-ium-1-yl)octanoate bromide Openeye Name: 2-(hexadecoxymethyl)pentyl 8-(4-methylpyridin-1-ium-1-yl)octanoate bromide CAS Name: 8-(4-methyl-1-pyridin-1-iumyl)octanoic acid 2-(hexadecoxymethyl)pentyl ester bromide IUPAC Name: 2-(hexadecoxymethyl)pentyl 8-(4-methylpyridin-1-ium-1-yl)octanoate bromide Traditional Name: 8-(4-methylpyridin-1-ium-1-yl)caprylic acid 2-(cetyloxymethyl)pentyl ester bromide Formula: C36H66BrNO3 MolecularWeight: 640.81814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(CCC)COC(=O)CCCCCCC[N+]1=CC=C(C=C1)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(CCC)COC(=O)CCCCCCC[N+]1=CC=C(C=C1)C.[Br-]

InChI

InChI=1S/C36H66NO3.BrH/c1-4-6-7-8-9-10-11-12-13-14-15-16-20-23-31-39-32-35(24-5-2)33-40-36(38)25-21-18-17-19-22-28-37-29-26-34(3)27-30-37;/h26-27,29-30,35H,4-25,28,31-33H2,1-3H3;1H/q+1;/p-1