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

Systemtic Name: 2-[3-(dimethylamino)propoxymethyl]-5-octadecoxy-1-(phenylmethyl)pyridin-4-one dihydrochloride Openeye Name: 1-benzyl-2-[3-(dimethylamino)propoxymethyl]-5-octadecoxy-pyridin-4-one dihydrochloride CAS Name: 2-[3-(dimethylamino)propoxymethyl]-5-octadecoxy-1-(phenylmethyl)-4-pyridinone dihydrochloride IUPAC Name: 1-benzyl-2-[3-(dimethylamino)propoxymethyl]-5-octadecoxypyridin-4-one dihydrochloride Traditional Name: 1-benzyl-2-[3-(dimethylamino)propoxymethyl]-5-stearyloxy-4-pyridone dihydrochloride Formula: C36H62Cl2N2O3 MolecularWeight: 641.79508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H60N2O3.2ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-28-41-36-31-38(30-33-24-20-19-21-25-33)34(29-35(36)39)32-40-27-23-26-37(2)3;;/h19-21,24-25,29,31H,4-18,22-23,26-28,30,32H2,1-3H3;2*1H