ethyl 1-hexyl-2-(3-octadecoxypropoxy)pyridin-1-ium-3-carboxylate bromide

Systemtic Name: ethyl 1-hexyl-2-(3-octadecoxypropoxy)pyridin-1-ium-3-carboxylate bromide Openeye Name: ethyl 1-hexyl-2-(3-octadecoxypropoxy)pyridin-1-ium-3-carboxylate bromide CAS Name: 1-hexyl-2-(3-octadecoxypropoxy)-3-pyridin-1-iumcarboxylic acid ethyl ester bromide IUPAC Name: ethyl 1-hexyl-2-(3-octadecoxypropoxy)pyridin-1-ium-3-carboxylate bromide Traditional Name: 1-hexyl-2-(3-stearyloxypropoxy)pyridin-1-ium-3-carboxylic acid ethyl ester bromide Formula: C35H64BrNO4 MolecularWeight: 642.79096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCCCOC1=C(C=CC=[N+]1CCCCCC)C(=O)OCC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCCCOC1=C(C=CC=[N+]1CCCCCC)C(=O)OCC.[Br-]

InChI

InChI=1S/C35H64NO4.BrH/c1-4-7-9-11-12-13-14-15-16-17-18-19-20-21-22-24-30-38-31-26-32-40-34-33(35(37)39-6-3)27-25-29-36(34)28-23-10-8-5-2;/h25,27,29H,4-24,26,28,30-32H2,1-3H3;1H/q+1;/p-1