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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)methanamine; ethanedioic acid Openeye Name: 1-(1,3-benzodioxol-5-yl)-N-(3-pyridylmethyl)methanamine; oxalic acid CAS Name: 1-(1,3-benzodioxol-5-yl)-N-(3-pyridinylmethyl)methanamine; oxalic acid IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)methanamine; oxalic acid Traditional Name: oxalic acid; piperonyl(3-pyridylmethyl)amine Formula: C16H16N2O6 MolecularWeight: 332.30804

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNCC3=CN=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNCC3=CN=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H14N2O2.C2H2O4/c1-2-12(8-15-5-1)9-16-7-11-3-4-13-14(6-11)18-10-17-13;3-1(4)2(5)6/h1-6,8,16H,7,9-10H2;(H,3,4)(H,5,6)