N-[1-(dimethylamino)propyl]octadecanamide; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: N-[1-(dimethylamino)propyl]octadecanamide; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: N-[1-(dimethylamino)propyl]octadecanamide citrate CAS Name: N-[1-(dimethylamino)propyl]octadecanamide; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: N-[1-(dimethylamino)propyl]octadecanamide; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: N-[1-(dimethylamino)propyl]stearamide citrate Formula: C29H53N2O8-3 MolecularWeight: 557.73972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(CC)N(C)C.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC(CC)N(C)C.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C23H48N2O.C6H8O7/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(26)24-22(6-2)25(3)4;7-3(8)1-6(13,5(11)12)2-4(9)10/h22H,5-21H2,1-4H3,(H,24,26);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3