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

Systemtic Name: ethyl 1-[6-(3-octadecoxypropoxy)hexyl]pyridin-1-ium-3-carboxylate Openeye Name: ethyl 1-[6-(3-octadecoxypropoxy)hexyl]pyridin-1-ium-3-carboxylate CAS Name: 1-[6-(3-octadecoxypropoxy)hexyl]-3-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(3-octadecoxypropoxy)hexyl]pyridin-1-ium-3-carboxylate Traditional Name: 1-[6-(3-stearyloxypropoxy)hexyl]pyridin-1-ium-3-carboxylic acid ethyl ester Formula: C35H64NO4+ MolecularWeight: 562.88696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H64NO4/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/q+1