5-octadecoxy-2-[(4-phenethylpiperidin-1-yl)methyl]-1-(phenylmethyl)pyridin-4-one dihydrochloride

Systemtic Name: 5-octadecoxy-2-[(4-phenethylpiperidin-1-yl)methyl]-1-(phenylmethyl)pyridin-4-one dihydrochloride Openeye Name: 1-benzyl-5-octadecoxy-2-[(4-phenethyl-1-piperidyl)methyl]pyridin-4-one dihydrochloride CAS Name: 5-octadecoxy-2-[(4-phenethyl-1-piperidinyl)methyl]-1-(phenylmethyl)-4-pyridinone dihydrochloride IUPAC Name: 1-benzyl-5-octadecoxy-2-[(4-phenethylpiperidin-1-yl)methyl]pyridin-4-one dihydrochloride Traditional Name: 1-benzyl-2-[(4-phenethylpiperidino)methyl]-5-stearyloxy-4-pyridone dihydrochloride Formula: C44H68Cl2N2O2 MolecularWeight: 727.92892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CN(C(=CC1=O)CN2CCC(CC2)CCC3=CC=CC=C3)CC4=CC=CC=C4.Cl.Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CN(C(=CC1=O)CN2CCC(CC2)CCC3=CC=CC=C3)CC4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C44H66N2O2.2ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-34-48-44-38-46(36-41-26-21-18-22-27-41)42(35-43(44)47)37-45-32-30-40(31-33-45)29-28-39-24-19-17-20-25-39;;/h17-22,24-27,35,38,40H,2-16,23,28-34,36-37H2,1H3;2*1H