2-(hexadecoxymethyl)pentyl 6-pyridin-1-ium-1-ylhexanoate bromide

Systemtic Name: 2-(hexadecoxymethyl)pentyl 6-pyridin-1-ium-1-ylhexanoate bromide Openeye Name: 2-(hexadecoxymethyl)pentyl 6-pyridin-1-ium-1-ylhexanoate bromide CAS Name: 6-(1-pyridin-1-iumyl)hexanoic acid 2-(hexadecoxymethyl)pentyl ester bromide IUPAC Name: 2-(hexadecoxymethyl)pentyl 6-pyridin-1-ium-1-ylhexanoate bromide Traditional Name: 6-pyridin-1-ium-1-ylhexanoic 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)CCCCC[N+]1=CC=CC=C1.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C33H60NO3.BrH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-23-29-36-30-32(24-4-2)31-37-33(35)25-19-17-20-26-34-27-21-18-22-28-34;/h18,21-22,27-28,32H,3-17,19-20,23-26,29-31H2,1-2H3;1H/q+1;/p-1