dodecyl(trimethyl)azanium; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: dodecyl(trimethyl)azanium; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: dodecyl(trimethyl)ammonium citrate CAS Name: dodecyl(trimethyl)ammonium; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: dodecyl(trimethyl)azanium; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: lauryl(trimethyl)ammonium citrate Formula: C21H39NO7-2 MolecularWeight: 417.53686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H34N.C6H8O7/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-15H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/q+1;/p-3