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

Systemtic Name: 2-[[3-(dimethylamino)propylamino]methyl]-1-[(4-methylphenyl)methyl]-5-octadecoxy-pyridin-4-one trihydrochloride Openeye Name: 2-[[3-(dimethylamino)propylamino]methyl]-5-octadecoxy-1-(p-tolylmethyl)pyridin-4-one trihydrochloride CAS Name: 2-[[3-(dimethylamino)propylamino]methyl]-1-[(4-methylphenyl)methyl]-5-octadecoxy-4-pyridinone trihydrochloride IUPAC Name: 2-[[3-(dimethylamino)propylamino]methyl]-1-[(4-methylphenyl)methyl]-5-octadecoxypyridin-4-one trihydrochloride Traditional Name: 2-[[3-(dimethylamino)propylamino]methyl]-1-(4-methylbenzyl)-5-stearyloxy-4-pyridone trihydrochloride Formula: C37H66Cl3N3O2 MolecularWeight: 691.29784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H63N3O2.3ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28-42-37-32-40(31-34-24-22-33(2)23-25-34)35(29-36(37)41)30-38-26-21-27-39(3)4;;;/h22-25,29,32,38H,5-21,26-28,30-31H2,1-4H3;3*1H