2-[(4-azanylbutylamino)methyl]-5-octadecoxy-1-(phenylmethyl)pyridin-4-one trihydrochloride

Systemtic Name: 2-[(4-azanylbutylamino)methyl]-5-octadecoxy-1-(phenylmethyl)pyridin-4-one trihydrochloride Openeye Name: 2-[(4-aminobutylamino)methyl]-1-benzyl-5-octadecoxy-pyridin-4-one trihydrochloride CAS Name: 2-[(4-aminobutylamino)methyl]-5-octadecoxy-1-(phenylmethyl)-4-pyridinone trihydrochloride IUPAC Name: 2-[(4-aminobutylamino)methyl]-1-benzyl-5-octadecoxypyridin-4-one trihydrochloride Traditional Name: 2-[(4-aminobutylamino)methyl]-1-benzyl-5-stearyloxy-4-pyridone trihydrochloride Formula: C35H62Cl3N3O2 MolecularWeight: 663.24468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H59N3O2.3ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-27-40-35-31-38(30-32-23-18-17-19-24-32)33(28-34(35)39)29-37-26-21-20-25-36;;;/h17-19,23-24,28,31,37H,2-16,20-22,25-27,29-30,36H2,1H3;3*1H