ethyl 1-[6-(3-octadecoxypropoxy)hexyl]pyridin-1-ium-3-carboxylate bromide

Systemtic Name: ethyl 1-[6-(3-octadecoxypropoxy)hexyl]pyridin-1-ium-3-carboxylate bromide Openeye Name: ethyl 1-[6-(3-octadecoxypropoxy)hexyl]pyridin-1-ium-3-carboxylate bromide CAS Name: 1-[6-(3-octadecoxypropoxy)hexyl]-3-pyridin-1-iumcarboxylic acid ethyl ester bromide IUPAC Name: ethyl 1-[6-(3-octadecoxypropoxy)hexyl]pyridin-1-ium-3-carboxylate bromide Traditional Name: 1-[6-(3-stearyloxypropoxy)hexyl]pyridin-1-ium-3-carboxylic acid ethyl ester bromide Formula: C35H64BrNO4 MolecularWeight: 642.79096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCCCOCCCCCC[N+]1=CC=CC(=C1)C(=O)OCC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCCCOCCCCCC[N+]1=CC=CC(=C1)C(=O)OCC.[Br-]

InChI

InChI=1S/C35H64NO4.BrH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-29-38-31-25-32-39-30-23-20-18-21-27-36-28-24-26-34(33-36)35(37)40-4-2;/h24,26,28,33H,3-23,25,27,29-32H2,1-2H3;1H/q+1;/p-1