dimethyl(octadecan-9-yl)azanium; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: dimethyl(octadecan-9-yl)azanium; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: dimethyl(1-octyldecyl)ammonium citrate CAS Name: dimethyl(octadecan-9-yl)ammonium; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: dimethyl(octadecan-9-yl)azanium; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: dimethyl(1-octyldecyl)ammonium citrate Formula: C26H49NO7-2 MolecularWeight: 487.66976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCCC)[NH+](C)C.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CCCCCCCCCC(CCCCCCCC)[NH+](C)C.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C20H43N.C6H8O7/c1-5-7-9-11-13-15-17-19-20(21(3)4)18-16-14-12-10-8-6-2;7-3(8)1-6(13,5(11)12)2-4(9)10/h20H,5-19H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-2