2-oxidanylpropane-1,2,3-tricarboxylic acid; 1-pyridin-4-yl-N-(pyridin-4-ylmethyl)methanamine

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylic acid; 1-pyridin-4-yl-N-(pyridin-4-ylmethyl)methanamine Openeye Name: citric acid; 1-(4-pyridyl)-N-(4-pyridylmethyl)methanamine CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 1-pyridin-4-yl-N-(pyridin-4-ylmethyl)methanamine IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 1-pyridin-4-yl-N-(pyridin-4-ylmethyl)methanamine Traditional Name: bis(4-pyridylmethyl)amine; citric acid Formula: C18H21N3O7 MolecularWeight: 391.37524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1CNCC2=CC=NC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

C1=CN=CC=C1CNCC2=CC=NC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C12H13N3.C6H8O7/c1-5-13-6-2-11(1)9-15-10-12-3-7-14-8-4-12;7-3(8)1-6(13,5(11)12)2-4(9)10/h1-8,15H,9-10H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)