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

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylate; trimethyl(octyl)azanium Openeye Name: trimethyl(octyl)ammonium citrate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate; trimethyl(octyl)ammonium IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; trimethyl(octyl)azanium Traditional Name: trimethyl(octyl)ammonium citrate Formula: C17H31NO7-2 MolecularWeight: 361.43054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H26N.C6H8O7/c1-5-6-7-8-9-10-11-12(2,3)4;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-11H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/q+1;/p-3