2-(bromomethyl)-1-[(4-chlorophenyl)methyl]-5-octadecoxy-pyridin-4-one hydrobromide

Systemtic Name: 2-(bromomethyl)-1-[(4-chlorophenyl)methyl]-5-octadecoxy-pyridin-4-one hydrobromide Openeye Name: 2-(bromomethyl)-1-[(4-chlorophenyl)methyl]-5-octadecoxy-pyridin-4-one hydrobromide CAS Name: 2-(bromomethyl)-1-[(4-chlorophenyl)methyl]-5-octadecoxy-4-pyridinone hydrobromide IUPAC Name: 2-(bromomethyl)-1-[(4-chlorophenyl)methyl]-5-octadecoxypyridin-4-one hydrobromide Traditional Name: 2-(bromomethyl)-1-(4-chlorobenzyl)-5-stearyloxy-4-pyridone hydrobromide Formula: C31H48Br2ClNO2 MolecularWeight: 661.97932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H47BrClNO2.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-36-31-26-34(29(24-32)23-30(31)35)25-27-18-20-28(33)21-19-27;/h18-21,23,26H,2-17,22,24-25H2,1H3;1H