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

Systemtic Name: 2-(bromomethyl)-5-octadecoxy-1-(4-phenylmethoxyphenyl)pyridin-4-one hydrobromide Openeye Name: 1-(4-benzyloxyphenyl)-2-(bromomethyl)-5-octadecoxy-pyridin-4-one hydrobromide CAS Name: 2-(bromomethyl)-5-octadecoxy-1-(4-phenylmethoxyphenyl)-4-pyridinone hydrobromide IUPAC Name: 2-(bromomethyl)-5-octadecoxy-1-(4-phenylmethoxyphenyl)pyridin-4-one hydrobromide Traditional Name: 1-(4-benzoxyphenyl)-2-(bromomethyl)-5-stearyloxy-4-pyridone hydrobromide Formula: C37H53Br2NO3 MolecularWeight: 719.62962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CN(C(=CC1=O)CBr)C2=CC=C(C=C2)OCC3=CC=CC=C3.Br

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CN(C(=CC1=O)CBr)C2=CC=C(C=C2)OCC3=CC=CC=C3.Br

InChI

InChI=1S/C37H52BrNO3.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27-41-37-30-39(34(29-38)28-36(37)40)33-23-25-35(26-24-33)42-31-32-21-18-17-19-22-32;/h17-19,21-26,28,30H,2-16,20,27,29,31H2,1H3;1H