dimethyl-[2-oxidanyl-4-(2-phenylphenyl)butyl]azanium; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: dimethyl-[2-oxidanyl-4-(2-phenylphenyl)butyl]azanium; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: [2-hydroxy-4-(2-phenylphenyl)butyl]-dimethyl-ammonium citrate CAS Name: [2-hydroxy-4-(2-phenylphenyl)butyl]-dimethylammonium; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: [2-hydroxy-4-(2-phenylphenyl)butyl]-dimethylazanium; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: [2-hydroxy-4-(2-phenylphenyl)butyl]-dimethyl-ammonium citrate Formula: C24H29NO8-2 MolecularWeight: 459.48896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC(CCC1=CC=CC=C1C2=CC=CC=C2)O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

C[NH+](C)CC(CCC1=CC=CC=C1C2=CC=CC=C2)O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C18H23NO.C6H8O7/c1-19(2)14-17(20)13-12-16-10-6-7-11-18(16)15-8-4-3-5-9-15;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-11,17,20H,12-14H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-2