1-(1,3-benzodioxol-5-yl)-N-[(3-bromanyl-4-methoxy-phenyl)methyl]methanamine; ethanedioic acid

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-N-[(3-bromanyl-4-methoxy-phenyl)methyl]methanamine; ethanedioic acid Openeye Name: 1-(1,3-benzodioxol-5-yl)-N-[(3-bromo-4-methoxy-phenyl)methyl]methanamine; oxalic acid CAS Name: 1-(1,3-benzodioxol-5-yl)-N-[(3-bromo-4-methoxyphenyl)methyl]methanamine; oxalic acid IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-[(3-bromo-4-methoxyphenyl)methyl]methanamine; oxalic acid Traditional Name: (3-bromo-4-methoxy-benzyl)-piperonyl-amine; oxalic acid Formula: C18H18BrNO7 MolecularWeight: 440.24202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16BrNO3.C2H2O4/c1-19-14-4-2-11(6-13(14)17)8-18-9-12-3-5-15-16(7-12)21-10-20-15;3-1(4)2(5)6/h2-7,18H,8-10H2,1H3;(H,3,4)(H,5,6)