2-(bromomethyl)-5-octadecoxy-1-(phenylmethyl)pyridin-4-one hydrobromide

Systemtic Name: 2-(bromomethyl)-5-octadecoxy-1-(phenylmethyl)pyridin-4-one hydrobromide Openeye Name: 1-benzyl-2-(bromomethyl)-5-octadecoxy-pyridin-4-one hydrobromide CAS Name: 2-(bromomethyl)-5-octadecoxy-1-(phenylmethyl)-4-pyridinone hydrobromide IUPAC Name: 1-benzyl-2-(bromomethyl)-5-octadecoxypyridin-4-one hydrobromide Traditional Name: 1-benzyl-2-(bromomethyl)-5-stearyloxy-4-pyridone hydrobromide Formula: C31H49Br2NO2 MolecularWeight: 627.53426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CN(C(=CC1=O)CBr)CC2=CC=CC=C2.Br

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CN(C(=CC1=O)CBr)CC2=CC=CC=C2.Br

InChI

InChI=1S/C31H48BrNO2.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-35-31-27-33(29(25-32)24-30(31)34)26-28-21-18-17-19-22-28;/h17-19,21-22,24,27H,2-16,20,23,25-26H2,1H3;1H