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

Systemtic Name: 2-(dimethylaminomethyl)-5-octadecoxy-1-(phenylmethyl)pyridin-4-one; ethanedioic acid Openeye Name: 1-benzyl-2-(dimethylaminomethyl)-5-octadecoxy-pyridin-4-one; oxalic acid CAS Name: 2-(dimethylaminomethyl)-5-octadecoxy-1-(phenylmethyl)-4-pyridinone; oxalic acid IUPAC Name: 1-benzyl-2-(dimethylaminomethyl)-5-octadecoxypyridin-4-one; oxalic acid Traditional Name: 1-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=CN(C(=CC1=O)CN(C)C)CC2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

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

InChI

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