1-[(4-chlorophenyl)methyl]-2-[3-(dimethylamino)propoxymethyl]-5-octadecoxy-pyridin-4-one

Systemtic Name: 1-[(4-chlorophenyl)methyl]-2-[3-(dimethylamino)propoxymethyl]-5-octadecoxy-pyridin-4-one Openeye Name: 1-[(4-chlorophenyl)methyl]-2-[3-(dimethylamino)propoxymethyl]-5-octadecoxy-pyridin-4-one CAS Name: 1-[(4-chlorophenyl)methyl]-2-[3-(dimethylamino)propoxymethyl]-5-octadecoxy-4-pyridinone IUPAC Name: 1-[(4-chlorophenyl)methyl]-2-[3-(dimethylamino)propoxymethyl]-5-octadecoxypyridin-4-one Traditional Name: 1-(4-chlorobenzyl)-2-[3-(dimethylamino)propoxymethyl]-5-stearyloxy-4-pyridone Formula: C36H59ClN2O3 MolecularWeight: 603.31826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CN(C(=CC1=O)COCCCN(C)C)CC2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CN(C(=CC1=O)COCCCN(C)C)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C36H59ClN2O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27-42-36-30-39(29-32-21-23-33(37)24-22-32)34(28-35(36)40)31-41-26-20-25-38(2)3/h21-24,28,30H,4-20,25-27,29,31H2,1-3H3