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

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylate; trimethyl-(phenylmethyl)azanium Openeye Name: benzyl(trimethyl)ammonium citrate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate; trimethyl-(phenylmethyl)ammonium IUPAC Name: benzyl(trimethyl)azanium; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: benzyl(trimethyl)ammonium citrate Formula: C16H21NO7-2 MolecularWeight: 339.34044

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC1=CC=CC=C1.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

C[N+](C)(C)CC1=CC=CC=C1.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C10H16N.C6H8O7/c1-11(2,3)9-10-7-5-4-6-8-10;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-8H,9H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/q+1;/p-3