2-[[3-(dimethylamino)propyl-methyl-amino]methyl]-5-octadecoxy-1-(phenylmethyl)pyridin-4-one trihydrochloride

Systemtic Name: 2-[[3-(dimethylamino)propyl-methyl-amino]methyl]-5-octadecoxy-1-(phenylmethyl)pyridin-4-one trihydrochloride Openeye Name: 1-benzyl-2-[[3-(dimethylamino)propyl-methyl-amino]methyl]-5-octadecoxy-pyridin-4-one trihydrochloride CAS Name: 2-[[3-(dimethylamino)propyl-methylamino]methyl]-5-octadecoxy-1-(phenylmethyl)-4-pyridinone trihydrochloride IUPAC Name: 1-benzyl-2-[[3-(dimethylamino)propyl-methylamino]methyl]-5-octadecoxypyridin-4-one trihydrochloride Traditional Name: 1-benzyl-2-[[3-(dimethylamino)propyl-methyl-amino]methyl]-5-stearyloxy-4-pyridone trihydrochloride Formula: C37H66Cl3N3O2 MolecularWeight: 691.29784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H63N3O2.3ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-29-42-37-33-40(31-34-25-21-20-22-26-34)35(30-36(37)41)32-39(4)28-24-27-38(2)3;;;/h20-22,25-26,30,33H,5-19,23-24,27-29,31-32H2,1-4H3;3*1H