2-(1,3-benzodioxol-5-yl)-N-(pyridin-2-ylmethyl)ethanamine; ethanedioic acid

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-(pyridin-2-ylmethyl)ethanamine; ethanedioic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-(2-pyridylmethyl)ethanamine; oxalic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-N-(2-pyridinylmethyl)ethanamine; oxalic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-(pyridin-2-ylmethyl)ethanamine; oxalic acid Traditional Name: homopiperonyl(2-pyridylmethyl)amine; oxalic acid Formula: C17H18N2O6 MolecularWeight: 346.33462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCNCC3=CC=CC=N3.C(=O)(C(=O)O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCNCC3=CC=CC=N3.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H16N2O2.C2H2O4/c1-2-7-17-13(3-1)10-16-8-6-12-4-5-14-15(9-12)19-11-18-14;3-1(4)2(5)6/h1-5,7,9,16H,6,8,10-11H2;(H,3,4)(H,5,6)