2-(dimethylaminomethyl)-5-octadecoxy-3-(phenylmethyl)-1H-pyridin-4-one; ethanedioic acid

Systemtic Name: 2-(dimethylaminomethyl)-5-octadecoxy-3-(phenylmethyl)-1H-pyridin-4-one; ethanedioic acid Openeye Name: 3-benzyl-2-(dimethylaminomethyl)-5-octadecoxy-1H-pyridin-4-one; oxalic acid CAS Name: 2-(dimethylaminomethyl)-5-octadecoxy-3-(phenylmethyl)-1H-pyridin-4-one; oxalic acid IUPAC Name: 3-benzyl-2-(dimethylaminomethyl)-5-octadecoxy-1H-pyridin-4-one; oxalic acid Traditional Name: 3-benzyl-2-(dimethylaminomethyl)-5-stearyloxy-4-pyridone; oxalic acid Formula: C35H56N2O6 MolecularWeight: 600.82894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CNC(=C(C1=O)CC2=CC=CC=C2)CN(C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CNC(=C(C1=O)CC2=CC=CC=C2)CN(C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C33H54N2O2.C2H2O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-37-32-27-34-31(28-35(2)3)30(33(32)36)26-29-23-20-19-21-24-29;3-1(4)2(5)6/h19-21,23-24,27H,4-18,22,25-26,28H2,1-3H3,(H,34,36);(H,3,4)(H,5,6)