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

Systemtic Name: 1-[(4-chlorophenyl)methyl]-2-[[3-(dimethylamino)propylamino]methyl]-5-octadecoxy-pyridin-4-one Openeye Name: 1-[(4-chlorophenyl)methyl]-2-[[3-(dimethylamino)propylamino]methyl]-5-octadecoxy-pyridin-4-one CAS Name: 1-[(4-chlorophenyl)methyl]-2-[[3-(dimethylamino)propylamino]methyl]-5-octadecoxy-4-pyridinone IUPAC Name: 1-[(4-chlorophenyl)methyl]-2-[[3-(dimethylamino)propylamino]methyl]-5-octadecoxypyridin-4-one Traditional Name: 1-(4-chlorobenzyl)-2-[[3-(dimethylamino)propylamino]methyl]-5-stearyloxy-4-pyridone Formula: C36H60ClN3O2 MolecularWeight: 602.3335

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H60ClN3O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27-42-36-31-40(30-32-21-23-33(37)24-22-32)34(28-35(36)41)29-38-25-20-26-39(2)3/h21-24,28,31,38H,4-20,25-27,29-30H2,1-3H3