1-(1,3-benzodioxol-5-yl)-N-[(2,5-dimethoxyphenyl)methyl]methanamine; ethanedioic acid

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-N-[(2,5-dimethoxyphenyl)methyl]methanamine; ethanedioic acid Openeye Name: 1-(1,3-benzodioxol-5-yl)-N-[(2,5-dimethoxyphenyl)methyl]methanamine; oxalic acid CAS Name: 1-(1,3-benzodioxol-5-yl)-N-[(2,5-dimethoxyphenyl)methyl]methanamine; oxalic acid IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-[(2,5-dimethoxyphenyl)methyl]methanamine; oxalic acid Traditional Name: (2,5-dimethoxybenzyl)-piperonyl-amine; oxalic acid Formula: C19H21NO8 MolecularWeight: 391.37194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CNCC2=CC3=C(C=C2)OCO3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CNCC2=CC3=C(C=C2)OCO3.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H19NO4.C2H2O4/c1-19-14-4-6-15(20-2)13(8-14)10-18-9-12-3-5-16-17(7-12)22-11-21-16;3-1(4)2(5)6/h3-8,18H,9-11H2,1-2H3;(H,3,4)(H,5,6)