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

Systemtic Name: 2-[[3-(dimethylamino)propylamino]methyl]-1-[(4-methoxyphenyl)methyl]-5-octadecoxy-pyridin-4-one hydrate trihydrochloride Openeye Name: 2-[[3-(dimethylamino)propylamino]methyl]-1-[(4-methoxyphenyl)methyl]-5-octadecoxy-pyridin-4-one hydrate trihydrochloride CAS Name: 2-[[3-(dimethylamino)propylamino]methyl]-1-[(4-methoxyphenyl)methyl]-5-octadecoxy-4-pyridinone hydrate trihydrochloride IUPAC Name: 2-[[3-(dimethylamino)propylamino]methyl]-1-[(4-methoxyphenyl)methyl]-5-octadecoxypyridin-4-one hydrate trihydrochloride Traditional Name: 2-[[3-(dimethylamino)propylamino]methyl]-1-p-anisyl-5-stearyloxy-4-pyridone hydrate trihydrochloride Formula: C37H68Cl3N3O4 MolecularWeight: 725.31252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H63N3O3.3ClH.H2O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28-43-37-32-40(31-33-22-24-35(42-4)25-23-33)34(29-36(37)41)30-38-26-21-27-39(2)3;;;;/h22-25,29,32,38H,5-21,26-28,30-31H2,1-4H3;3*1H;1H2