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

Systemtic Name: 2-[[4-(aminomethyl)-4-phenyl-piperidin-1-yl]methyl]-5-octadecoxy-1-(phenylmethyl)pyridin-4-one trihydrochloride Openeye Name: 2-[[4-(aminomethyl)-4-phenyl-1-piperidyl]methyl]-1-benzyl-5-octadecoxy-pyridin-4-one trihydrochloride CAS Name: 2-[[4-(aminomethyl)-4-phenyl-1-piperidinyl]methyl]-5-octadecoxy-1-(phenylmethyl)-4-pyridinone trihydrochloride IUPAC Name: 2-[[4-(aminomethyl)-4-phenylpiperidin-1-yl]methyl]-1-benzyl-5-octadecoxypyridin-4-one trihydrochloride Traditional Name: 2-[[4-(aminomethyl)-4-phenyl-piperidino]methyl]-1-benzyl-5-stearyloxy-4-pyridone trihydrochloride Formula: C43H68Cl3N3O2 MolecularWeight: 765.37792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C43H65N3O2.3ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-32-48-42-36-46(34-38-24-19-17-20-25-38)40(33-41(42)47)35-45-30-28-43(37-44,29-31-45)39-26-21-18-22-27-39;;;/h17-22,24-27,33,36H,2-16,23,28-32,34-35,37,44H2,1H3;3*1H