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

Systemtic Name: 2-[3-(dimethylamino)propoxymethyl]-1-[(4-methylphenyl)methyl]-5-octadecoxy-pyridin-4-one dihydrochloride Openeye Name: 2-[3-(dimethylamino)propoxymethyl]-5-octadecoxy-1-(p-tolylmethyl)pyridin-4-one dihydrochloride CAS Name: 2-[3-(dimethylamino)propoxymethyl]-1-[(4-methylphenyl)methyl]-5-octadecoxy-4-pyridinone dihydrochloride IUPAC Name: 2-[3-(dimethylamino)propoxymethyl]-1-[(4-methylphenyl)methyl]-5-octadecoxypyridin-4-one dihydrochloride Traditional Name: 2-[3-(dimethylamino)propoxymethyl]-1-(4-methylbenzyl)-5-stearyloxy-4-pyridone dihydrochloride Formula: C37H64Cl2N2O3 MolecularWeight: 655.82166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H62N2O3.2ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28-42-37-31-39(30-34-24-22-33(2)23-25-34)35(29-36(37)40)32-41-27-21-26-38(3)4;;/h22-25,29,31H,5-21,26-28,30,32H2,1-4H3;2*1H