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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCNCC3=CN=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCNCC3=CN=CC=C3.C(=O)(C(=O)O)O

InChI

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