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

Systemtic Name: 1-(cyclohexylmethyl)-2-[[3-(dimethylamino)propylamino]methyl]-5-octadecoxy-pyridin-4-one Openeye Name: 1-(cyclohexylmethyl)-2-[[3-(dimethylamino)propylamino]methyl]-5-octadecoxy-pyridin-4-one CAS Name: 1-(cyclohexylmethyl)-2-[[3-(dimethylamino)propylamino]methyl]-5-octadecoxy-4-pyridinone IUPAC Name: 1-(cyclohexylmethyl)-2-[[3-(dimethylamino)propylamino]methyl]-5-octadecoxypyridin-4-one Traditional Name: 1-(cyclohexylmethyl)-2-[[3-(dimethylamino)propylamino]methyl]-5-stearyloxy-4-pyridone Formula: C36H67N3O2 MolecularWeight: 573.93608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CN(C(=CC1=O)CNCCCN(C)C)CC2CCCCC2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CN(C(=CC1=O)CNCCCN(C)C)CC2CCCCC2

InChI

InChI=1S/C36H67N3O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-28-41-36-32-39(31-33-24-20-19-21-25-33)34(29-35(36)40)30-37-26-23-27-38(2)3/h29,32-33,37H,4-28,30-31H2,1-3H3