2-[[4-(2-azanylethyl)-4-phenyl-piperidin-1-yl]methyl]-5-octadecoxy-1-(phenylmethyl)pyridin-4-one

Systemtic Name: 2-[[4-(2-azanylethyl)-4-phenyl-piperidin-1-yl]methyl]-5-octadecoxy-1-(phenylmethyl)pyridin-4-one Openeye Name: 2-[[4-(2-aminoethyl)-4-phenyl-1-piperidyl]methyl]-1-benzyl-5-octadecoxy-pyridin-4-one CAS Name: 2-[[4-(2-aminoethyl)-4-phenyl-1-piperidinyl]methyl]-5-octadecoxy-1-(phenylmethyl)-4-pyridinone IUPAC Name: 2-[[4-(2-aminoethyl)-4-phenylpiperidin-1-yl]methyl]-1-benzyl-5-octadecoxypyridin-4-one Traditional Name: 2-[[4-(2-aminoethyl)-4-phenyl-piperidino]methyl]-1-benzyl-5-stearyloxy-4-pyridone Formula: C44H67N3O2 MolecularWeight: 670.02168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CN(C(=CC1=O)CN2CCC(CC2)(CCN)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CN(C(=CC1=O)CN2CCC(CC2)(CCN)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C44H67N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-34-49-43-38-47(36-39-24-19-17-20-25-39)41(35-42(43)48)37-46-32-29-44(28-31-45,30-33-46)40-26-21-18-22-27-40/h17-22,24-27,35,38H,2-16,23,28-34,36-37,45H2,1H3