2-(hexadecoxymethyl)pentyl 6-(4-methylpyridin-1-ium-1-yl)hexanoate bromide

Systemtic Name: 2-(hexadecoxymethyl)pentyl 6-(4-methylpyridin-1-ium-1-yl)hexanoate bromide Openeye Name: 2-(hexadecoxymethyl)pentyl 6-(4-methylpyridin-1-ium-1-yl)hexanoate bromide CAS Name: 6-(4-methyl-1-pyridin-1-iumyl)hexanoic acid 2-(hexadecoxymethyl)pentyl ester bromide IUPAC Name: 2-(hexadecoxymethyl)pentyl 6-(4-methylpyridin-1-ium-1-yl)hexanoate bromide Traditional Name: 6-(4-methylpyridin-1-ium-1-yl)hexanoic acid 2-(cetyloxymethyl)pentyl ester bromide Formula: C34H62BrNO3 MolecularWeight: 612.76498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H62NO3.BrH/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-21-29-37-30-33(22-5-2)31-38-34(36)23-19-18-20-26-35-27-24-32(3)25-28-35;/h24-25,27-28,33H,4-23,26,29-31H2,1-3H3;1H/q+1;/p-1