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

Systemtic Name: ethyl 1-hexyl-2-(3-octadecoxypropoxy)pyridin-1-ium-3-carboxylate Openeye Name: ethyl 1-hexyl-2-(3-octadecoxypropoxy)pyridin-1-ium-3-carboxylate CAS Name: 1-hexyl-2-(3-octadecoxypropoxy)-3-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-hexyl-2-(3-octadecoxypropoxy)pyridin-1-ium-3-carboxylate Traditional Name: 1-hexyl-2-(3-stearyloxypropoxy)pyridin-1-ium-3-carboxylic acid ethyl ester Formula: C35H64NO4+ MolecularWeight: 562.88696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H64NO4/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/q+1