1-(2-ethoxy-3-hexadecoxy-propyl)pyridin-1-ium bromide

Systemtic Name: 1-(2-ethoxy-3-hexadecoxy-propyl)pyridin-1-ium bromide Openeye Name: 1-(2-ethoxy-3-hexadecoxy-propyl)pyridin-1-ium bromide CAS Name: 1-(2-ethoxy-3-hexadecoxypropyl)pyridin-1-ium bromide IUPAC Name: 1-(2-ethoxy-3-hexadecoxypropyl)pyridin-1-ium bromide Traditional Name: 1-(3-cetyloxy-2-ethoxy-propyl)pyridin-1-ium bromide Formula: C26H48BrNO2 MolecularWeight: 486.56882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H48NO2.BrH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20-23-28-25-26(29-4-2)24-27-21-18-17-19-22-27;/h17-19,21-22,26H,3-16,20,23-25H2,1-2H3;1H/q+1;/p-1