1-octadecoxy-1-propyl-pyridin-1-ium-4-one hydrobromide

Systemtic Name: 1-octadecoxy-1-propyl-pyridin-1-ium-4-one hydrobromide Openeye Name: 1-octadecoxy-1-propyl-pyridin-1-ium-4-one hydrobromide CAS Name: 1-octadecoxy-1-propyl-4-pyridin-1-iumone hydrobromide IUPAC Name: 1-octadecoxy-1-propylpyridin-1-ium-4-one hydrobromide Traditional Name: 1-propyl-1-stearyloxy-pyridin-1-ium-4-one hydrobromide Formula: C26H49BrNO2+ MolecularWeight: 487.57676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCO[N+]1(C=CC(=O)C=C1)CCC.Br

Isomeric SMILES

CCCCCCCCCCCCCCCCCCO[N+]1(C=CC(=O)C=C1)CCC.Br

InChI

InChI=1S/C26H48NO2.BrH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-29-27(22-4-2)23-20-26(28)21-24-27;/h20-21,23-24H,3-19,22,25H2,1-2H3;1H/q+1;