2-(hexadecoxymethyl)pentyl 5-(4-methylpyridin-1-ium-1-yl)pentanoate bromide

Systemtic Name: 2-(hexadecoxymethyl)pentyl 5-(4-methylpyridin-1-ium-1-yl)pentanoate bromide Openeye Name: 2-(hexadecoxymethyl)pentyl 5-(4-methylpyridin-1-ium-1-yl)pentanoate bromide CAS Name: 5-(4-methyl-1-pyridin-1-iumyl)pentanoic acid 2-(hexadecoxymethyl)pentyl ester bromide IUPAC Name: 2-(hexadecoxymethyl)pentyl 5-(4-methylpyridin-1-ium-1-yl)pentanoate bromide Traditional Name: 5-(4-methylpyridin-1-ium-1-yl)valeric acid 2-(cetyloxymethyl)pentyl ester bromide Formula: C33H60BrNO3 MolecularWeight: 598.7384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H60NO3.BrH/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-28-36-29-32(21-5-2)30-37-33(35)22-18-19-25-34-26-23-31(3)24-27-34;/h23-24,26-27,32H,4-22,25,28-30H2,1-3H3;1H/q+1;/p-1