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

Systemtic Name: 2-[[2-dimethylaminoethyl(methyl)amino]methyl]-5-octadecoxy-1-(phenylmethyl)pyridin-4-one trihydrochloride Openeye Name: 1-benzyl-2-[[2-dimethylaminoethyl(methyl)amino]methyl]-5-octadecoxy-pyridin-4-one trihydrochloride CAS Name: 2-[[2-dimethylaminoethyl(methyl)amino]methyl]-5-octadecoxy-1-(phenylmethyl)-4-pyridinone trihydrochloride IUPAC Name: 1-benzyl-2-[[2-dimethylaminoethyl(methyl)amino]methyl]-5-octadecoxypyridin-4-one trihydrochloride Traditional Name: 1-benzyl-2-[[2-dimethylaminoethyl(methyl)amino]methyl]-5-stearyloxy-4-pyridone trihydrochloride Formula: C36H64Cl3N3O2 MolecularWeight: 677.27126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H61N3O2.3ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28-41-36-32-39(30-33-24-21-20-22-25-33)34(29-35(36)40)31-38(4)27-26-37(2)3;;;/h20-22,24-25,29,32H,5-19,23,26-28,30-31H2,1-4H3;3*1H