dihexadecyl(dimethyl)azanium; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: dihexadecyl(dimethyl)azanium; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: dihexadecyl(dimethyl)ammonium citrate CAS Name: dihexadecyl(dimethyl)ammonium; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: dihexadecyl(dimethyl)azanium; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: dicetyl(dimethyl)ammonium citrate Formula: C40H77NO7-2 MolecularWeight: 684.04188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCC.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCC.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C34H72N.C6H8O7/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(3,4)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-34H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/q+1;/p-3